Revisiting Matrix Product on Master-Worker Platforms

This paper is aimed at designing efficient parallel matrix-product algorithms for heterogeneous master-worker platforms. While matrix-product is well-understood for homogeneous 2D-arrays of processors (e.g., Cannon algorithm and ScaLAPACK outer product algorithm), there are three key hypotheses that render our work original and innovative: - Centralized data. We assume that all matrix files originate from, and must be returned to, the master. - Heterogeneous star-shaped platforms. We target fully heterogeneous platforms, where computational resources have different computing powers. - Limited memory. Because we investigate the parallelization of large problems, we cannot assume that full matrix panels can be stored in the worker memories and re-used for subsequent updates (as in ScaLAPACK). We have devised efficient algorithms for resource selection (deciding which workers to enroll) and communication ordering (both for input and result messages), and we report a set of numerical experiments on various platforms at Ecole Normale Superieure de Lyon and the University of Tennessee. However, we point out that in this first version of the report, experiments are limited to homogeneous platforms

TensorFlow Doing HPC

TensorFlow is a popular emerging open-source programming framework supporting the execution of distributed applications on heterogeneous hardware. While TensorFlow has been initially designed for developing Machine Learning (ML) applications, in fact TensorFlow aims at supporting the development of a much broader range of application kinds that are outside the ML domain and can possibly include HPC applications. However, very few experiments have been conducted to evaluate TensorFlow performance when running HPC workloads on supercomputers. This work addresses this lack by designing four traditional HPC benchmark applications: STREAM, matrix-matrix multiply, Conjugate Gradient (CG) solver and Fast Fourier Transform (FFT). We analyze their performance on two supercomputers with accelerators and evaluate the potential of TensorFlow for developing HPC applications. Our tests show that TensorFlow can fully take advantage of high performance networks and accelerators on supercomputers. Running our TensorFlow STREAM benchmark, we obtain over 50% of theoretical communication bandwidth on our testing platform. We find an approximately 2x, 1.7x and 1.8x performance improvement when increasing the number of GPUs from two to four in the matrix-matrix multiply, CG and FFT applications respectively. All our performance results demonstrate that TensorFlow has high potential of emerging also as HPC programming framework for heterogeneous supercomputers.Comment: Accepted for publication at The Ninth International Workshop on Accelerators and Hybrid Exascale Systems (AsHES'19

Performance Reproduction and Prediction of Selected Dynamic Loop Scheduling Experiments

Scientific applications are complex, large, and often exhibit irregular and stochastic behavior. The use of efficient loop scheduling techniques in computationally-intensive applications is crucial for improving their performance on high-performance computing (HPC) platforms. A number of dynamic loop scheduling (DLS) techniques have been proposed between the late 1980s and early 2000s, and efficiently used in scientific applications. In most cases, the computing systems on which they have been tested and validated are no longer available. This work is concerned with the minimization of the sources of uncertainty in the implementation of DLS techniques to avoid unnecessary influences on the performance of scientific applications. Therefore, it is important to ensure that the DLS techniques employed in scientific applications today adhere to their original design goals and specifications. The goal of this work is to attain and increase the trust in the implementation of DLS techniques in present studies. To achieve this goal, the performance of a selection of scheduling experiments from the 1992 original work that introduced factoring is reproduced and predicted via both, simulative and native experimentation. The experiments show that the simulation reproduces the performance achieved on the past computing platform and accurately predicts the performance achieved on the present computing platform. The performance reproduction and prediction confirm that the present implementation of the DLS techniques considered both, in simulation and natively, adheres to their original description. The results confirm the hypothesis that reproducing experiments of identical scheduling scenarios on past and modern hardware leads to an entirely different behavior from expected

Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond

Various strategies to implement efficiently QMC simulations for large chemical systems are presented. These include: i.) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel scheme is based on the use of the highly localized character of atomic Gaussian basis functions (not the molecular orbitals as usually done), ii.) the possibility of keeping the memory footprint minimal, iii.) the important enhancement of single-core performance when efficient optimization tools are employed, and iv.) the definition of a universal, dynamic, fault-tolerant, and load-balanced computational framework adapted to all kinds of computational platforms (massively parallel machines, clusters, or distributed grids). These strategies have been implemented in the QMC=Chem code developed at Toulouse and illustrated with numerical applications on small peptides of increasing sizes (158, 434, 1056 and 1731 electrons). Using 10k-80k computing cores of the Curie machine (GENCI-TGCC-CEA, France) QMC=Chem has been shown to be capable of running at the petascale level, thus demonstrating that for this machine a large part of the peak performance can be achieved. Implementation of large-scale QMC simulations for future exascale platforms with a comparable level of efficiency is expected to be feasible