Due to better parallel density and power efficiency, GPUs have become more popular for use in scientific applications. Many of these applications are based on the ubiquitous Message Passing Interface (MPI) programming paradigm, and take advantage of non-contiguous memory layouts to exchange data between processes. However, support for efficient non-contiguous data movements for GPU-resident data is still in its infancy, imposing a negative impact on the overall application performance.

To address this shortcoming, we present a solution where we take advantage of the inherent parallelism in the datatype packing and unpacking operations. We developed a close integration between Open MPI's stack-based datatype engine, NVIDIA's Unied Memory Architecture and GPUDirect capabilities. In this design the datatype packing and unpacking operations are offloaded onto the GPU and handled by specialized GPU kernels, while the CPU remains the driver for data movements between nodes. By incorporating our design into the Open MPI library we have shown significantly better performance for non-contiguous GPU-resident data transfers on both shared and distributed memory machines.

%B 25th International Symposium on High-Performance Parallel and Distributed Computing (HPDC'16) %I ACM %C Kyoto, Japan %8 06-2016 %G eng %R http://dx.doi.org/10.1145/2907294.2907317 %0 Conference Paper %B International Conference on Computational Science (ICCS'16) %D 2016 %T High-Performance Tensor Contractions for GPUs %A Ahmad Abdelfattah %A Marc Baboulin %A Veselin Dobrev %A Jack Dongarra %A Christopher Earl %A Joël Falcou %A Azzam Haidar %A Ian Karlin %A Tzanio Kolev %A Ian Masliah %A Stanimire Tomov %K Applications %K Batched linear algebra %K FEM %K gpu %K Tensor contractions %K Tensor HPC %X We present a computational framework for high-performance tensor contractions on GPUs. High-performance is difficult to obtain using existing libraries, especially for many independent contractions where each contraction is very small, e.g., sub-vector/warp in size. However, using our framework to batch contractions plus application-specifics, we demonstrate close to peak performance results. In particular, to accelerate large scale tensor-formulated high-order finite element method (FEM) simulations, which is the main focus and motivation for this work, we represent contractions as tensor index reordering plus matrix-matrix multiplications (GEMMs). This is a key factor to achieve algorithmically many-fold acceleration (vs. not using it) due to possible reuse of data loaded in fast memory. In addition to using this context knowledge, we design tensor data-structures, tensor algebra interfaces, and new tensor contraction algorithms and implementations to achieve 90+% of a theoretically derived peak on GPUs. On a K40c GPU for contractions resulting in GEMMs on square matrices of size 8 for example, we are 2.8× faster than CUBLAS, and 8.5× faster than MKL on 16 cores of Intel Xeon E5-2670 (Sandy Bridge) 2.60GHz CPUs. Finally, we apply autotuning and code generation techniques to simplify tuning and provide an architecture-aware, user-friendly interface. %B International Conference on Computational Science (ICCS'16) %C San Diego, CA %8 06-2016 %G eng %0 Conference Paper %B 29th IEEE International Parallel & Distributed Processing Symposium (IPDPS) %D 2015 %T Hierarchical DAG scheduling for Hybrid Distributed Systems %A Wei Wu %A Aurelien Bouteiller %A George Bosilca %A Mathieu Faverge %A Jack Dongarra %K dense linear algebra %K gpu %K heterogeneous architecture %K PaRSEC runtime %X Accelerator-enhanced computing platforms have drawn a lot of attention due to their massive peak com-putational capacity. Despite significant advances in the pro-gramming interfaces to such hybrid architectures, traditional programming paradigms struggle mapping the resulting multi-dimensional heterogeneity and the expression of algorithm parallelism, resulting in sub-optimal effective performance. Task-based programming paradigms have the capability to alleviate some of the programming challenges on distributed hybrid many-core architectures. In this paper we take this concept a step further by showing that the potential of task-based programming paradigms can be greatly increased with minimal modification of the underlying runtime combined with the right algorithmic changes. We propose two novel recursive algorithmic variants for one-sided factorizations and describe the changes to the PaRSEC task-scheduling runtime to build a framework where the task granularity is dynamically adjusted to adapt the degree of available parallelism and kernel effi-ciency according to runtime conditions. Based on an extensive set of results we show that, with one-sided factorizations, i.e. Cholesky and QR, a carefully written algorithm, supported by an adaptive tasks-based runtime, is capable of reaching a degree of performance and scalability never achieved before in distributed hybrid environments. %B 29th IEEE International Parallel & Distributed Processing Symposium (IPDPS) %I IEEE %C Hyderabad, India %8 05-2015 %G eng %0 Journal Article %J Supercomputing Frontiers and Innovations %D 2015 %T Parallel Programming Models for Dense Linear Algebra on Heterogeneous Systems %A Maksims Abalenkovs %A Ahmad Abdelfattah %A Jack Dongarra %A Mark Gates %A Azzam Haidar %A Jakub Kurzak %A Piotr Luszczek %A Stanimire Tomov %A Ichitaro Yamazaki %A Asim YarKhan %K dense linear algebra %K gpu %K HPC %K Multicore %K Programming models %K runtime %X We present a review of the current best practices in parallel programming models for dense linear algebra (DLA) on heterogeneous architectures. We consider multicore CPUs, stand alone manycore coprocessors, GPUs, and combinations of these. Of interest is the evolution of the programming models for DLA libraries – in particular, the evolution from the popular LAPACK and ScaLAPACK libraries to their modernized counterparts PLASMA (for multicore CPUs) and MAGMA (for heterogeneous architectures), as well as other programming models and libraries. Besides providing insights into the programming techniques of the libraries considered, we outline our view of the current strengths and weaknesses of their programming models – especially in regards to hardware trends and ease of programming high-performance numerical software that current applications need – in order to motivate work and future directions for the next generation of parallel programming models for high-performance linear algebra libraries on heterogeneous systems. %B Supercomputing Frontiers and Innovations %V 2 %8 10-2015 %G eng %R 10.14529/jsfi1504 %0 Journal Article %J International Journal of High Performance Computing Applications %D 2014 %T A Novel Hybrid CPU-GPU Generalized Eigensolver for Electronic Structure Calculations Based on Fine Grained Memory Aware Tasks %A Azzam Haidar %A Raffaele Solcà %A Mark Gates %A Stanimire Tomov %A Thomas C. Schulthess %A Jack Dongarra %K Eigensolver %K electronic structure calculations %K generalized eigensolver %K gpu %K high performance %K hybrid %K Multicore %K two-stage %X The adoption of hybrid CPU–GPU nodes in traditional supercomputing platforms such as the Cray-XK6 opens acceleration opportunities for electronic structure calculations in materials science and chemistry applications, where medium-sized generalized eigenvalue problems must be solved many times. These eigenvalue problems are too small to effectively solve on distributed systems, but can benefit from the massive computing power concentrated on a single-node, hybrid CPU–GPU system. However, hybrid systems call for the development of new algorithms that efficiently exploit heterogeneity and massive parallelism of not just GPUs, but of multicore/manycore CPUs as well. Addressing these demands, we developed a generalized eigensolver featuring novel algorithms of increased computational intensity (compared with the standard algorithms), decomposition of the computation into fine-grained memory aware tasks, and their hybrid execution. The resulting eigensolvers are state-of-the-art in high-performance computing, significantly outperforming existing libraries. We describe the algorithm and analyze its performance impact on applications of interest when different fractions of eigenvectors are needed by the host electronic structure code. %B International Journal of High Performance Computing Applications %V 28 %P 196-209 %8 05-2014 %G eng %N 2 %& 196 %R 10.1177/1094342013502097 %0 Journal Article %J IEEE Transactions on Parallel and Distributed Computing %D 2013 %T LU Factorization with Partial Pivoting for a Multicore System with Accelerators %A Jakub Kurzak %A Piotr Luszczek %A Jack Dongarra %K accelerator %K Gaussian elimination %K gpu %K lu factorization %K manycore %K Multicore %K partial pivoting %X LU factorization with partial pivoting is a canonical numerical procedure and the main component of the high performance LINPACK benchmark. This paper presents an implementation of the algorithm for a hybrid, shared memory, system with standard CPU cores and GPU accelerators. The difficulty of implementing the algorithm for such a system lies in the disproportion between the computational power of the CPUs, compared to the GPUs, and in the meager bandwidth of the communication link between their memory systems. An additional challenge comes from the complexity of the memory-bound and synchronization-rich nature of the panel factorization component of the block LU algorithm, imposed by the use of partial pivoting. The challenges are tackled with the use of a data layout geared toward complex memory hierarchies, autotuning of GPU kernels, fine-grain parallelization of memory-bound CPU operations and dynamic scheduling of tasks to different devices. Performance in excess of one TeraFLOPS is achieved using four AMD Magny Cours CPUs and four NVIDIA Fermi GPUs. %B IEEE Transactions on Parallel and Distributed Computing %V 24 %P 1613-1621 %8 08-2013 %G eng %N 8 %& 1613 %R http://doi.ieeecomputersociety.org/10.1109/TPDS.2012.242 %0 Journal Article %J Journal of Computational Science %D 2013 %T Soft Error Resilient QR Factorization for Hybrid System with GPGPU %A Peng Du %A Piotr Luszczek %A Stanimire Tomov %A Jack Dongarra %K gpgpu %K gpu %K magma %X The general purpose graphics processing units (GPGPUs) are increasingly deployed for scientific computing due to their performance advantages over CPUs. What followed is the fact that fault tolerance has become a more serious concern compared to the period when GPGPUs were used exclusively for graphics applications. Using GPUs and CPUs together in a hybrid computing system increases flexibility and performance but also increases the possibility of the computations being affected by soft errors, for example, in the form of bit flips. In this work, we propose a soft error resilient algorithm for QR factorization on such hybrid systems. Our contributions include: (1) a checkpointing and recovery mechanism for the left-factor Q whose performance is scalable on hybrid systems; (2) optimized Givens rotation utilities on GPGPUs to efficiently reduce an upper Hessenberg matrix to an upper triangular form for the protection of the right factor R; and (3) a recovery algorithm based on QR update on GPGPUs. Experimental results show that our fault tolerant QR factorization can successfully detect and recover from soft errors in the entire matrix with little overhead on hybrid systems with GPGPUs. %B Journal of Computational Science %V 4 %P 457–464 %8 11-2013 %G eng %N 6 %R http://dx.doi.org/10.1016/j.jocs.2013.01.004