Chain-based scheduling: Part I - loop transformations and code generation

Chain-based scheduling [1] is an efficient partitioning and scheduling scheme for nested loops on distributed-memory multicomputers. The idea is to take advantage of the regular data dependence structure of a nested loop to overlap and pipeline the communication and computation. Most partitioning and scheduling algorithms proposed for nested loops on multicomputers [1,2,3] are graph algorithms on the iteration space of the nested loop. The graph algorithms for partitioning and scheduling are too expensive (at least O(N), where N is the total number of iterations) to be implemented in parallelizing compilers. Graph algorithms also need large data structures to store the result of the partitioning and scheduling. In this paper, we propose compiler loop transformations and the code generation to generate chain-based parallel codes for nested loops on multicomputers. The cost of the loop transformations is O(nd), where n is the number of nesting loops and d is the number of data dependences. Both n and d are very small in real programs. The loop transformations and code generation for chain-based partitioning and scheduling enable parallelizing compilers to generate parallel codes which contain all partitioning and scheduling information that the parallel processors need at run time

Parallelization of irregularly coupled regular meshes

Regular meshes are frequently used for modeling physical phenomena on both serial and parallel computers. One advantage of regular meshes is that efficient discretization schemes can be implemented in a straight forward manner. However, geometrically-complex objects, such as aircraft, cannot be easily described using a single regular mesh. Multiple interacting regular meshes are frequently used to describe complex geometries. Each mesh models a subregion of the physical domain. The meshes, or subdomains, can be processed in parallel, with periodic updates carried out to move information between the coupled meshes. In many cases, there are a relatively small number (one to a few dozen) subdomains, so that each subdomain may also be partitioned among several processors. We outline a composite run-time/compile-time approach for supporting these problems efficiently on distributed-memory machines. These methods are described in the context of a multiblock fluid dynamics problem developed at LaRC

ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.Comment: 55 pages, 14 figures, 2 table

Beyond Reuse Distance Analysis: Dynamic Analysis for Characterization of Data Locality Potential

Emerging computer architectures will feature drastically decreased flops/byte (ratio of peak processing rate to memory bandwidth) as highlighted by recent studies on Exascale architectural trends. Further, flops are getting cheaper while the energy cost of data movement is increasingly dominant. The understanding and characterization of data locality properties of computations is critical in order to guide efforts to enhance data locality. Reuse distance analysis of memory address traces is a valuable tool to perform data locality characterization of programs. A single reuse distance analysis can be used to estimate the number of cache misses in a fully associative LRU cache of any size, thereby providing estimates on the minimum bandwidth requirements at different levels of the memory hierarchy to avoid being bandwidth bound. However, such an analysis only holds for the particular execution order that produced the trace. It cannot estimate potential improvement in data locality through dependence preserving transformations that change the execution schedule of the operations in the computation. In this article, we develop a novel dynamic analysis approach to characterize the inherent locality properties of a computation and thereby assess the potential for data locality enhancement via dependence preserving transformations. The execution trace of a code is analyzed to extract a computational directed acyclic graph (CDAG) of the data dependences. The CDAG is then partitioned into convex subsets, and the convex partitioning is used to reorder the operations in the execution trace to enhance data locality. The approach enables us to go beyond reuse distance analysis of a single specific order of execution of the operations of a computation in characterization of its data locality properties. It can serve a valuable role in identifying promising code regions for manual transformation, as well as assessing the effectiveness of compiler transformations for data locality enhancement. We demonstrate the effectiveness of the approach using a number of benchmarks, including case studies where the potential shown by the analysis is exploited to achieve lower data movement costs and better performance.Comment: Transaction on Architecture and Code Optimization (2014

Toward an architecture for quantum programming

It is becoming increasingly clear that, if a useful device for quantum computation will ever be built, it will be embodied by a classical computing machine with control over a truly quantum subsystem, this apparatus performing a mixture of classical and quantum computation. This paper investigates a possible approach to the problem of programming such machines: a template high level quantum language is presented which complements a generic general purpose classical language with a set of quantum primitives. The underlying scheme involves a run-time environment which calculates the byte-code for the quantum operations and pipes it to a quantum device controller or to a simulator. This language can compactly express existing quantum algorithms and reduce them to sequences of elementary operations; it also easily lends itself to automatic, hardware independent, circuit simplification. A publicly available preliminary implementation of the proposed ideas has been realized using the C++ language.Comment: 23 pages, 5 figures, A4paper. Final version accepted by EJPD ("swap" replaced by "invert" for Qops). Preliminary implementation available at: http://sra.itc.it/people/serafini/quantum-computing/qlang.htm

Minimizing Communication in Linear Algebra

In 1981 Hong and Kung proved a lower bound on the amount of communication needed to perform dense, matrix-multiplication using the conventional $O(n^3)$ algorithm, where the input matrices were too large to fit in the small, fast memory. In 2004 Irony, Toledo and Tiskin gave a new proof of this result and extended it to the parallel case. In both cases the lower bound may be expressed as $\Omega$(#arithmetic operations / $\sqrt{M}$), where M is the size of the fast memory (or local memory in the parallel case). Here we generalize these results to a much wider variety of algorithms, including LU factorization, Cholesky factorization, $LDL^T$ factorization, QR factorization, algorithms for eigenvalues and singular values, i.e., essentially all direct methods of linear algebra. The proof works for dense or sparse matrices, and for sequential or parallel algorithms. In addition to lower bounds on the amount of data moved (bandwidth) we get lower bounds on the number of messages required to move it (latency). We illustrate how to extend our lower bound technique to compositions of linear algebra operations (like computing powers of a matrix), to decide whether it is enough to call a sequence of simpler optimal algorithms (like matrix multiplication) to minimize communication, or if we can do better. We give examples of both. We also show how to extend our lower bounds to certain graph theoretic problems. We point out recently designed algorithms for dense LU, Cholesky, QR, eigenvalue and the SVD problems that attain these lower bounds; implementations of LU and QR show large speedups over conventional linear algebra algorithms in standard libraries like LAPACK and ScaLAPACK. Many open problems remain.Comment: 27 pages, 2 table

Large scale ab initio calculations based on three levels of parallelization

We suggest and implement a parallelization scheme based on an efficient multiband eigenvalue solver, called the locally optimal block preconditioned conjugate gradient LOBPCG method, and using an optimized three-dimensional (3D) fast Fourier transform (FFT) in the ab initio}plane-wave code ABINIT. In addition to the standard data partitioning over processors corresponding to different k-points, we introduce data partitioning with respect to blocks of bands as well as spatial partitioning in the Fourier space of coefficients over the plane waves basis set used in ABINIT. This k-points-multiband-FFT parallelization avoids any collective communications on the whole set of processors relying instead on one-dimensional communications only. For a single k-point, super-linear scaling is achieved for up to 100 processors due to an extensive use of hardware optimized BLAS, LAPACK, and SCALAPACK routines, mainly in the LOBPCG routine. We observe good performance up to 200 processors. With 10 k-points our three-way data partitioning results in linear scaling up to 1000 processors for a practical system used for testing.Comment: 8 pages, 5 figures. Accepted to Computational Material Scienc

Transformations of High-Level Synthesis Codes for High-Performance Computing

Specialized hardware architectures promise a major step in performance and energy efficiency over the traditional load/store devices currently employed in large scale computing systems. The adoption of high-level synthesis (HLS) from languages such as C/C++ and OpenCL has greatly increased programmer productivity when designing for such platforms. While this has enabled a wider audience to target specialized hardware, the optimization principles known from traditional software design are no longer sufficient to implement high-performance codes. Fast and efficient codes for reconfigurable platforms are thus still challenging to design. To alleviate this, we present a set of optimizing transformations for HLS, targeting scalable and efficient architectures for high-performance computing (HPC) applications. Our work provides a toolbox for developers, where we systematically identify classes of transformations, the characteristics of their effect on the HLS code and the resulting hardware (e.g., increases data reuse or resource consumption), and the objectives that each transformation can target (e.g., resolve interface contention, or increase parallelism). We show how these can be used to efficiently exploit pipelining, on-chip distributed fast memory, and on-chip streaming dataflow, allowing for massively parallel architectures. To quantify the effect of our transformations, we use them to optimize a set of throughput-oriented FPGA kernels, demonstrating that our enhancements are sufficient to scale up parallelism within the hardware constraints. With the transformations covered, we hope to establish a common framework for performance engineers, compiler developers, and hardware developers, to tap into the performance potential offered by specialized hardware architectures using HLS