CLBlast: A Tuned OpenCL BLAS Library

This work introduces CLBlast, an open-source BLAS library providing optimized OpenCL routines to accelerate dense linear algebra for a wide variety of devices. It is targeted at machine learning and HPC applications and thus provides a fast matrix-multiplication routine (GEMM) to accelerate the core of many applications (e.g. deep learning, iterative solvers, astrophysics, computational fluid dynamics, quantum chemistry). CLBlast has five main advantages over other OpenCL BLAS libraries: 1) it is optimized for and tested on a large variety of OpenCL devices including less commonly used devices such as embedded and low-power GPUs, 2) it can be explicitly tuned for specific problem-sizes on specific hardware platforms, 3) it can perform operations in half-precision floating-point FP16 saving bandwidth, time and energy, 4) it has an optional CUDA back-end, 5) and it can combine multiple operations in a single batched routine, accelerating smaller problems significantly. This paper describes the library and demonstrates the advantages of CLBlast experimentally for different use-cases on a wide variety of OpenCL hardware.Comment: Conference paper in: IWOCL '18, the International Workshop on OpenC

GPU Accelerated Approach to Numerical Linear Algebra and Matrix Analysis with CFD Applications

A GPU accelerated approach to numerical linear algebra and matrix analysis with CFD applications is presented. The works objectives are to (1) develop stable and efficient algorithms utilizing multiple NVIDIA GPUs with CUDA to accelerate common matrix computations, (2) optimize these algorithms through CPU/GPU memory allocation, GPU kernel development, CPU/GPU communication, data transfer and bandwidth control to (3) develop parallel CFD applications for Navier Stokes and Lattice Boltzmann analysis methods. Special consideration will be given to performing the linear algebra algorithms under certain matrix types (banded, dense, diagonal, sparse, symmetric and triangular). Benchmarks are performed for all analyses with baseline CPU times being determined to find speed-up factors and measure computational capability of the GPU accelerated algorithms. The GPU implemented algorithms used in this work along with the optimization techniques performed are measured against preexisting work and test matrices available in the NIST Matrix Market. CFD analysis looked to strengthen the assessment of this work by providing a direct engineering application to analysis that would benefit from matrix optimization techniques and accelerated algorithms. Overall, this work desired to develop optimization for selected linear algebra and matrix computations performed with modern GPU architectures and CUDA developer which were applied directly to mathematical and engineering applications through CFD analysis

Solving Large Dense Symmetric Eigenproblem on Hybrid Architectures

Dense symmetric eigenproblem is one of the most significant problems in the numerical linear algebra that arises in numerous research fields such as bioinformatics, computational chemistry, and meteorology. In the past years, the problems arising in these fields become bigger than ever resulting in growing demands in both computational power as well as the storage capacities. In such problems, the eigenproblem becomes the main computational bottleneck for which solution is required an extremely high computational power. Modern computing architectures that can meet these growing demands are those that combine the power of the traditional multi-core processors and the general-purpose GPUs and are called hybrid systems. These systems exhibit very high performance when the data fits into the GPU memory ; however, if the volume of the data exceeds the total GPU memory, i.e. the data is out-of-core from the GPU perspective, the performance rapidly decreases. This dissertation is focused on the development of the algorithms that solve dense symmetric eigenproblems on the hybrid GPU-based architectures. In particular, it aims at developing the eigensolvers that exhibit very high performance even if a problem is out- of-core for the GPU. The developed out-of-core eigensolvers are evaluated and compared on real problems that arise in the simulation of molecular motions. In such problems the data, usually too large to fit into the GPU memory, are stored in the main memory and copied to the GPU memory in pieces. That approach results in the performance drop due to a slow interconnection and a high memory latency. To overcome this problem an approach that applies blocking strategy and re- designs the existing eigensolvers, in order to decrease the volume of data transferred and the number of memory transfers, is presented. This approach designs and implements a set of the block- oriented, communication-avoiding BLAS routines that overlap the data transfers with the number of computations performed. Next, these routines are applied to speed-up the following eigensolvers: the solver based on the multi-stage reduction to a tridiagonal form, the Krylov subspace-based method, and the spectral divide-and-conquer method. Although the out-of-core BLAS routines significantly improve the performance of these three eigensolvers, a careful re-design is required in order to tackle the solution of the large eigenproblems on the hybrid CPU-GPU systems. In the out-of-core multi-stage reduction approach, the factor that mostly influences the performance is the band size of the obtained band matrix. On the other hand, the Krylov subspace- based method, although it is based on the memory- bound BLAS-2 operations, is the fastest method if only a small subset of the eigenpairs is required. Finally, the spectral divide-and- conquer algorithm, which exhibits significantly higher arithmetic cost than the other two eigensolvers, achieves extremely high performance since it can be performed completely in terms of the compute-bound BLAS-3 operations. Furthermore, its high arithmetic cost is further reduced by exploiting the special structure of a matrix. Finally, the results presented in the dissertation show that the three out-of-core eigen- solvers, for a set of the specific macromolecular problems, significantly overcome the multi-core variants and attain high flops rate even if data do not fit into the GPU memory. This proves that it is possible to solve large eigenproblems on modest computing systems equipped with a single GPU

Efficient Algorithms for Solving Structured Eigenvalue Problems Arising in the Description of Electronic Excitations

Matrices arising in linear-response time-dependent density functional theory and many-body perturbation theory, in particular in the Bethe-Salpeter approach, show a 2 × 2 block structure. The motivation to devise new algorithms, instead of using general purpose eigenvalue solvers, comes from the need to solve large problems on high performance computers. This requires parallelizable and communication-avoiding algorithms and implementations. We point out various novel directions for diagonalizing structured matrices. These include the solution of skew-symmetric eigenvalue problems in ELPA, as well as structure preserving spectral divide-and-conquer schemes employing generalized polar decompostions

Optimizing Memory-Bound SYMV Kernel on GPU Hardware Accelerators

Abstract. Hardware accelerators are becoming ubiquitous high performance scientific computing. They are capable of delivering an unprecedented level of concurrent execution contexts. High-level programming language extensions (e.g., CUDA), profiling tools (e.g., PAPI-CUDA, CUDA Profiler) are paramount to improve productivity, while effectively exploiting the underlying hardware. We present an optimized numerical kernel for computing the symmetric matrix-vector product on nVidia Fermi GPUs. Due to its inherent memory-bound nature, this kernel is very critical in the tridiagonalization of a symmetric dense matrix, which is a preprocessing step to calculate the eigenpairs. Using a novel design to address the irregular memory accesses by hiding latency and increasing bandwidth, our preliminary asymptotic results show 3.5x and 2.5x fold speedups over the similar CUBLAS 4.0 kernel, and 7-8 % and 30% fold improvement over the Matrix Algebra on GPU and Multicore Architectures (MAGMA) library in single and double precision arithmetics, respectively.