Many-task computing on many-core architectures

Many-Task Computing (MTC) is a common scenario for multiple parallel systems, such as cluster, grids, cloud and supercomputers, but it is not so popular in shared memory parallel processors. In this sense and given the spectacular growth in performance and in number of cores integrated in many-core architectures, the study of MTC on such architectures is becoming more and more relevant. In this paper, authors present what are those programming mechanisms to take advantages of such massively parallel features for the particular target of MTC. Also, the hardware features of the two dominant many-core platforms (NVIDIA's GPUs and Intel Xeon Phi) are also analyzed for our specific framework. Given the important differences in terms of hardware and software in our two many-core platforms, we have considered different strategies based on CUDA (for GPUs) and OpenMP (for Intel Xeon Phi). We carried out several test cases based on an appropriate and widely studied problem for benchmarking as matrix multiplication. Essentially, this study consisted of comparing the time consumed for computing in parallel several tasks one by one (the whole computational resources are used just to compute one task at a time) with the time consumed for computing in parallel the same set of tasks simultaneously (the whole computational resources are used for computing the set of tasks at very same time). Finally, we compared both software-hardware scenarios to identify the most relevant computer features in each of our many-core architectures

Introduction to the special issue on high performance computing solutions for complex problems

[No abstract available

Simulating the behavior of the human brain on GPUS

The simulation of the behavior of the Human Brain is one of the most important challenges in computing today. The main problem consists of finding efficient ways to manipulate and compute the huge volume of data that this kind of simulations need, using the current technology. In this sense, this work is focused on one of the main steps of such simulation, which consists of computing the Voltage on neurons’ morphology. This is carried out using the Hines Algorithm and, although this algorithm is the optimum method in terms of number of operations, it is in need of non-trivial modifications to be efficiently parallelized on GPUs. We proposed several optimizations to accelerate this algorithm on GPU-based architectures, exploring the limitations of both, method and architecture, to be able to solve efficiently a high number of Hines systems (neurons). Each of the optimizations are deeply analyzed and described. Two different approaches are studied, one for mono-morphology simulations (batch of neurons with the same shape) and one for multi-morphology simulations (batch of neurons where every neuron has a different shape). In mono-morphology simulations we obtain a good performance using just a single kernel to compute all the neurons. However this turns out to be inefficient on multi-morphology simulations. Unlike the previous scenario, in multi-morphology simulations a much more complex implementation is necessary to obtain a good performance. In this case, we must execute more than one single GPU kernel. In every execution (kernel call) one specific part of the batch of the neurons is solved. These parts can be seen as multiple and independent tridiagonal systems. Although the present paper is focused on the simulation of the behavior of the Human Brain, some of these techniques, in particular those related to the solving of tridiagonal systems, can be also used for multiple oil and gas simulations. Our studies have proven that the optimizations proposed in the present work can achieve high performance on those computations with a high number of neurons, being our GPU implementations about 4× and 8× faster than the OpenMP multicore implementation (16 cores), using one and two NVIDIA K80 GPUs respectively. Also, it is important to highlight that these optimizations can continue scaling, even when dealing with a very high number of neurons.This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under Grant Agreement No. 720270 (HBP SGA1), from the Spanish Ministry of Economy and Competitiveness under the project Computación de Altas Prestaciones VII (TIN2015-65316-P), the Departament d’Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Programació i Entorns d’Execució Parallels (2014-SGR-1051). We thank the support of NVIDIA through the BSC/UPC NVIDIA GPU Center of Excellence, and the European Union’s Horizon 2020 Research and Innovation Program under the Marie Sklodowska-Curie Grant Agreement No. 749516.Peer ReviewedPostprint (published version

cuHinesBatch: solving multiple hines systems on GPUs Human Brain Project

The simulation of the behavior of the Human Brain is one of the most important challenges today in computing. The main problem consists of finding efficient ways to manipulate and compute the huge volume of data that this kind of simulations need, using the current technology. In this sense, this work is focused on one of the main steps of such simulation, which consists of computing the Voltage on neurons’ morphology. This is carried out using the Hines Algorithm. Although this algorithm is the optimum method in terms of number of operations, it is in need of non-trivial modifications to be efficiently parallelized on NVIDIA GPUs. We proposed several optimizations to accelerate this algorithm on GPU-based architectures, exploring the limitations of both, method and architecture, to be able to solve efficiently a high number of Hines systems (neurons). Each of the optimizations are deeply analyzed and described. To evaluate the impact of the optimizations on real inputs, we have used 6 different morphologies in terms of size and branches. Our studies have proven that the optimizations proposed in the present work can achieve a high performance on those computations with a high number of neurons, being our GPU implementations about 4× and 8× faster than the OpenMP multicore implementation (16 cores), using one and two K80 NVIDIA GPUs respectively. Also, it is important to highlight that these optimizations can continue scaling even when dealing with number of neurons.This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 720270 (HBP SGA1), from the Spanish Ministry of Economy and Competitiveness under the project Computación de Altas Prestaciones VII (TIN2015-65316-P) and the Departament d’Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Programació i Entorns d’Execució Paral·lels (2014-SGR-1051). We thank the support of NVIDIA through the BSC/UPC NVIDIA GPU Center of Excellence. Antonio J. Peña is cofinanced by the Spanish Ministry of Economy and Competitiveness under Juan de la Cierva fellowship number IJCI-2015-23266.Peer ReviewedPostprint (published version

Tasking in accelerators: performance evaluation

© 2019 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes,creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.In this work, we analyze the implications and results of implementing dynamic parallelism, concurrent kernels and CUDA Graphs to solve task-oriented problems. As a benchmark we propose three different methods for solving DGEMM operation on tiled-matrices; which might be the most popular benchmark for performance analysis. For the algorithms that we study, we present significant differences in terms of data dependencies, synchronization and granularity. The main contribution of this work is determining which of the previous approaches work better for having multiple task running concurrently in a single GPU, as well as stating the main limitations and benefits of every technique. Using dynamic parallelism and CUDA Streams we were able to achieve up to 30% speedups and for CUDA Graph API up to 25x acceleration outperforming state of the art results.This project has received funding from the EPEEC project from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 801051, from the Spanish Ministry of Economy and Competitiveness under the project Computación de Altas Prestaciones VII ( TIN2015-65316-P ) and the Departament d’Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Pro-gramació i Entorns d’Execució Paral·lels (2014-SGR-1051 ). Finally, this project also received funding from the Spanish Ministry of Economy and Competitiveness under the Juan de la Cierva Grant Agreement No IJCI-2017-33511 , and from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska Curie grant agreement No. 749516 .Peer ReviewedPostprint (author's final draft

Static Graphs for Coding Productivity in OpenACC

The main contribution of this work is to increase the coding productivity for GPU programming by using the concept of Static Graphs. To do so, we have combined the new CUDA Graph API with the OpenACC programming model. We use as test cases a well-known and widely used problems in HPC and AI: the Particle Swarm Optimization. We complement the OpenACC functionality with the use of CUDA Graph, achieving accelerations of more than one order of magnitude, and a performance very close to a reference and optimized CUDA code. Finally, we propose a new specification to incorporate the concept of Static Graphs into the OpenACC specification.This project has received funding from the EPEEC project from the European Union’s Horizon 2020 Research and Innovation program under grant agreement No. 801051.Peer ReviewedPostprint (author's final draft

cuThomasBatch and cuThomasVBatch, CUDA Routines to compute batch of tridiagonal systems on NVIDIA GPUs

The solving of tridiagonal systems is one of the most computationally expensive parts in many applications, so that multiple studies have explored the use of NVIDIA GPUs to accelerate such computation. However, these studies have mainly focused on using parallel algorithms to compute such systems, which can efficiently exploit the shared memory and are able to saturate the GPUs capacity with a low number of systems, presenting a poor scalability when dealing with a relatively high number of systems. The gtsvStridedBatch routine in the cuSPARSE NVIDIA package is one of these examples, which is used as reference in this article. We propose a new implementation (cuThomasBatch) based on the Thomas algorithm. Unlike other algorithms, the Thomas algorithm is sequential, and so a coarse-grained approach is implemented where one CUDA thread solves a complete tridiagonal system instead of one CUDA block as in gtsvStridedBatch. To achieve a good scalability using this approach, it is necessary to carry out a transformation in the way that the inputs are stored in memory to exploit coalescence (contiguous threads access to contiguous memory locations). Different variants regarding the transformation of the data are explored in detail. We also explore some variants for the case of variable batch, when the size of the systems of the batch has different size (cuThomasVBatch). The results given in this study prove that the implementations carried out in this work are able to beat the reference code, being up to 5× (in double precision) and 6× (in single precision) faster using the latest NVIDIA GPU architecture, the Pascal P100.This project was funded from the European Union's Horizon 2020 research and innovation programme under grant agreement 720270 (HBPSGA1), from the Spanish Ministry of Economy and Competitiveness under the project Computación de Altas Prestaciones VII (TIN2015-65316-P)and the Departament d'Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Programació iEntorns d'Execució Paral·lels (2014-SGR-1051). We thank the support of NVIDIA through the BSC/UPC NVIDIA GPU Center of Excellence andthe valuable feedback provided by Lung Sheng Chien and Alex Fit-Florea. Antonio J. Peña was cofinanced by the Spanish Ministry of Economy andCompetitiveness under Juan de la Cierva fellowship number IJCI-2015-23266.Peer ReviewedPostprint (author's final draft

High performance scientific computing in applications with direct finite element simulation

xiii, 133 p.La predicción del flujo separado, incluida la pérdida de un avión completo mediantela dinámica de fluidos computacional (CFD) se considera uno de los grandes desaf¿¿os que seresolverán en 2030, según NASA. Las ecuaciones no lineales de Navier-Stokes proporcionan laformulación matemática para flujo de fluidos en espacios tridimensionales. Sin embargo, todaviafaltan soluciones clásicas, existencia y singularidad. Ya que el cálculo de la fuerza bruta esintratable para realizar simulación predictiva para un avión completo, uno puede usar la simulaciónnumérica directa (DNS); sin embargo, prohibitivamente caro ya que necesita resolver laturbulencia a escala de magnitud Re power (9/4). Considerando otros métodos como el estad¿¿sticopromedio Reynolds¿s Average Navier Stokes (RANS), spatial average Large Eddy Simulation(LES), y Hybrid Detached Eddy Simulation (DES), que requieren menos cantidad de grados delibertad. Todos estos métodos deben ajustarse a los problemas de referencia y, además, cerca las paredes, la malla tieneque ser muy fina para resolver las capas l¿¿mite (lo cual significa que el costo computacional es muycostoso). Por encima de todo, los resultados son sensibles a, por ejemplo, parámetros expl¿¿citos enel método, la malla, etc.Como una solución al desaf¿¿o, aqu¿¿ presentamos la adaptación Metodolog¿¿a de solución directa deFEM (DFS) con resolución numérica disparo, como una familia predictiva, libre de parámetros demétodos para flujo turbulento. Resolvimos el modelo de avión JAXA Standard Model (JSM) ennúmero realista de Reynolds, presentado como parte del High Lift Taller de predicción 3.Predijimos un aumento de Cl dentro de un error de 5 % vs experimento, arrastre Cd dentro de 10 %error y detenga 1 ¿ dentro del ángulo de ataque.El taller identificó un probable experimento error depedido 10 % para los resultados de arrastre. La simulación es 10 veces más rápido y más barato encomparación con CFD tradicional o existente enfoques. La eficiencia proviene principalmente dell¿¿mite de deslizamiento condición que permite mallas gruesas cerca de las paredes, orientada aobjetivos control de error adaptativo que refina la malla solo donde es necesario y grandes pasos detiempo utilizando un método de iteración de punto fijo tipo Schur, sin comprometer la precisión delos resultados de la simulación.También presentamos una generalización de DFS a densidad variable y validado contra el problemade referencia MARIN bien establecido. los Los resultados muestran un buen acuerdo con losresultados experimentales en forma de sensores de presión. Más tarde, usamos esta metodolog¿¿apara resolver dos aplicaciones en problemas de flujo multifásico. Uno tiene que ver con un flashtanque de almacenamiento de agua de lluvia (consorcio de agua de Bilbao), y el segundo es sobre eldiseño de una boquilla para impresión 3D. En el agua de lluvia tanque de almacenamiento,predijimos que la altura del agua en el tanque tiene un influencia significativa sobre cómo secomporta el flujo aguas abajo de la puerta del tanque (válvula). Para la impresión 3D,desarrollamos un diseño eficiente con El flujo de chorro enfocado para evitar la oxidación y elcalentamiento en la punta del boquilla durante un proceso de fusión.Finalmente, presentamos aqu¿¿ el paralelismo en múltiples GPU y el incrustado sistema dearquitectura Kalray. Casi todas las supercomputadoras de hoy tienen arquitecturas heterogéneas,1 See the UNESCO Internacional Standard nomenclature for fields of Science and Technologyacomo CPU+GPU u otros aceleradores, y, por lo tanto, es esencial desarrollar marcoscomputacionales para aprovecha de ellos. Como lo hemos visto antes, se comienza a desarrollar eseCFD más tarde en la década de 1060 cuando podemos tener poder computacional, por lo tanto, Esesencial utilizar y probar estos aceleradores para los cálculos de CFD. Las GPU tienen unaarquitectura diferente en comparación con las CPU tradicionales. Técnicamente, la GPU tienemuchos núcleos en comparación con las CPU que hacen de la GPU una buena opción para elcómputo paralelo.Para múltiples GPU, desarrollamos un cálculo de plantilla, aplicado a simulación depliegues geológicos. Exploramos la computación de halo y utilizamos Secuencias CUDA paraoptimizar el tiempo de computación y comunicación. La ganancia de rendimiento resultante fue de23 % para cuatro GPU con arquitectura Fermi, y la mejora correspondiente obtenida en cuatro LasGPU Kepler fueron de 47 %.This research was carried out at the Basque Center for Applied Mathematics (BCAM) within the CFD Computational Technology (CFDCT) and also at the School of Electrical Engineering and Computer Science(Royal Institue of Technology, Stockholm, Sweden). Which is suported by Fundacion Obra Social “la Caixa“, Severo Ochoa Excellence research centre 2014-2018 SEV-2013-0323, Severo Ochoa Excellence research centre 2018-2022 SEV-2017-0718, BERC program 2014-2017, BERC program 2018-2021, MSO4SC European project, Elkartek. This work has been performed using the computing infrastructure from SNIC (Swedish National Infrastructure for Computing)

High Performance Scientific Computing in Applications with Direct Finite Element Simulation

To predict separated flow including stall of a full aircraft with Computational Fluid Dynamics (CFD) is considered one of the problems of the grand challenges to be solved by 2030, according to NASA [1]. The nonlinear Navier- Stokes equations provide the mathematical formulation for fluid flow in 3- dimensional spaces. However, classical solutions, existence, and uniqueness are still missing. Since brute-force computation is intractable, to perform predictive simulation for a full aircraft, one can use Direct Numerical Simulation (DNS); however, it is prohibitively expensive as it needs to resolve the turbulent scales of order Re4 . Considering other methods such as statistical average Reynolds’s Average Navier Stokes (RANS), spatial average Large Eddy Simulation (LES), and hybrid Detached Eddy Simulation (DES), which require less number of degrees of freedom. All of these methods have to be tuned to benchmark problems, and moreover, near the walls, the mesh has to be very fine to resolve boundary layers (which means the computational cost is very expensive). Above all, the results are sensitive to, e.g. explicit parameters in the method, the mesh, etc. As a resolution to the challenge, here we present the adaptive time- resolved Direct FEM Solution (DFS) methodology with numerical tripping, as a predictive, parameter-free family of methods for turbulent flow. We solved the JAXA Standard Model (JSM) aircraft model at realistic Reynolds number, presented as part of the High Lift Prediction Workshop 3. We predicted lift Cl within 5% error vs. experiment, drag Cd within 10% error and stall 1◦ within the angle of attack. The workshop identified a likely experimental error of order 10% for the drag results. The simulation is 10 times faster and cheaper when compared to traditional or existing CFD approaches. The efficiency mainly comes from the slip boundary condition that allows coarse meshes near walls, goal-oriented adaptive error control that refines the mesh only where needed and large time steps using a Schur-type fixed-point iteration method, without compromising the accuracy of the simulation results. As a follow-up, we were invited to the Fifth High Order CFD Workshop, where the approach was validated for a tandem sphere problem (low Reynolds number turbulent flow) wherein a second sphere is placed a certain distance downstream from a first sphere. The results capture the expected slipstream phenomenon, with appx. 2% error. A comparison with the higher-order frameworks Nek500 and PyFR was done. The PyFR framework has demonstrated high effectiveness for GPUs with an unstructured mesh, which is a hard problem in this field. This is achieved by an explicit time-stepping approach. Our study showed that our large time step approach enabled appx. 3 orders of magnitude larger time steps than the explicit time steps in PyFR, which made our method more effective for solving the whole problem. We also presented a generalization of DFS to variable density and validated against the well-established MARIN benchmark problem. The results show good agreement with experimental results in the form of pressure sensors. Later, we used this methodology to solve two applications in multiphase flow problems. One has to do with a flash rainwater storage tank (Bilbao water consortium), and the second is about designing a nozzle for 3D printing. In the flash rainwater storage tank, we predicted that the water height in the tank has a significant influence on how the flow behaves downstream of the tank door (valve). For the 3D printing, we developed an efficient design with the focused jet flow to prevent oxidation and heating at the tip of the nozzle during a melting process. Finally, we presented here the parallelism on multiple GPUs and the embedded system Kalray architecture. Almost all supercomputers today have heterogeneous architectures, such as CPU+GPU or other accelerators, and it is, therefore, essential to develop computational frameworks to take advantage of them. For multiple GPUs, we developed a stencil computation, applied to geological folds simulation. We explored halo computation and used CUDA streams to optimize computation and communication time. The resulting performance gain was 23% for four GPUs with Fermi architecture, and the corresponding improvement obtained on four Kepler GPUs were 47%. The Kalray architecture is designed to have low energy consumption. Here we tested the Jacobi method with different communication strategies. Additionally, visualization is a crucial area when we do scientific simulations. We developed an automated visualization framework, where we could see that task parallelization is more than 10 times faster than data parallelization. We have also used our DFS in the cloud computing setting to validate the simulation against the local cluster simulation. Finally, we recommend the easy pre-processing tool to support DFS simulation.La Caixa 201