相关论文: Matrix Distributed Processing: A set of C++ Tools …

Large-scale atomistic simulations are essential to bridge computational materials and chemistry to realistic materials and drug discovery applications. In the past few years, rapid developments of machine learning interatomic potentials…

Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…

Parallel programming remains a daunting challenge, from the struggle to express a parallel algorithm without cluttering the underlying synchronous logic, to describing which devices to employ in a calculation, to correctness. Over the…

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

This paper studies the utility of using data analytics and machine learning techniques for identifying, classifying, and characterizing the dynamics of large-scale parallel (MPI) programs. To this end, we run microbenchmarks and realistic…

OpenGM is a C++ template library for defining discrete graphical models and performing inference on these models, using a wide range of state-of-the-art algorithms. No restrictions are imposed on the factor graph to allow for higher-order…

We consider the problem of solving a family of parametric mixed-integer linear optimization problems where some entries in the input data change. We introduce the concept of cutting-plane layer (CPL), i.e., a differentiable cutting-plane…

With the advent of multi-core processors and their fast expansion, it is quite clear that {\em parallel computing} is now a genuine requirement in Computer Science and Engineering (and related) curriculum. In addition to the pervasiveness…

This article presents a comparison of various implementations of the Lattice Discrete Particle Model (LDPM) for the numerical simulation of concrete and other heterogeneous quasibrittle materials. The comparison involves the use of…

TMAC is a toolbox written in C++11 that implements algorithms based on a set of modern methods for large-scale optimization. It covers a variety of optimization problems, which can be both smooth and nonsmooth, convex and nonconvex, as well…

The integration of quantum chemical methods with high-performance computing is indispensable for handling large systems with modest accuracy or even small systems but with high accuracy. Continuing with the unified implementation of…

We describe a family of MPI applications we call the Parallel Unix Commands. These commands are natural parallel versions of common Unix user commands such as ls, ps, and find, together with a few similar commands particular to the parallel…

Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…

Processing massive application graphs on distributed memory systems requires to map the graphs onto the system's processing elements (PEs). This task becomes all the more important when PEs have non-uniform communication costs or the input…

A Partitioned Global Address Space (PGAS) approach treats a distributed system as if the memory were shared on a global level. Given such a global view on memory, the user may program applications very much like shared memory systems. This…

Pipelined algorithms implemented in field programmable gate arrays are being extensively used for hardware triggers in the modern experimental high energy physics field and the complexity of such algorithms are increases rapidly. For…

Full-wave 3D electromagnetic simulations of complex planar devices, multilayer interconnects, and chip packages are presented for wide-band frequency-domain analysis using the finite difference integration technique developed in the PETSc…

Probabilistic language models are widely used in Information Retrieval (IR) to rank documents by the probability that they generate the query. However, the implementation of the probabilistic representations with programming languages that…

A C++ library, named ZKCM, has been developed for the purpose of multiprecision matrix calculations, which is based on the GNU MP and MPFR libraries. It is especially convenient for writing programs involving tensor-product operations,…

We introduce Lemon, an MPI parallel I/O library that is intended to allow for efficient parallel I/O of both binary and metadata on massively parallel architectures. Motivated by the demands of the Lattice Quantum Chromodynamics community,…