Related papers: Lemon: an MPI parallel I/O library for data encaps…
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…
Recent advances in large language models (LLMs) have significantly accelerated progress in code translation, enabling more accurate and efficient transformation across programming languages. While originally developed for natural language…
We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) molecular dynamics. In our scheme, the exchange attempts are driven by asynchronous messages sent by one of the computing nodes, so that…
The implicit 2D3V particle-in-cell (PIC) code developed to study the interaction of ultrashort pulse lasers with matter [G. M. Petrov and J. Davis, Computer Phys. Comm. 179, 868 (2008); Phys. Plasmas 18, 073102 (2011)] has been parallelized…
We present here the most recent version of FermiQCD, a collection of C++ classes, functions and parallel algorithms for lattice QCD, based on Matrix Distributed Processing. FermiQCD allows fast development of parallel lattice applications…
Deploying large language models (LLMs) on edge devices is crucial for delivering fast responses and ensuring data privacy. However, the limited storage, weight, and power of edge devices make it difficult to deploy LLM-powered applications.…
Lattice Boltzmann method (LBM) is a promising approach to solving Computational Fluid Dynamics (CFD) problems, however, its nature of memory-boundness limits nearly all LBM algorithms' performance on modern computer architectures. This…
Large language models (LLMs) have emerged as a powerful foundation for intelligent reasoning and decision-making, demonstrating substantial impact across a wide range of domains and applications. However, their massive parameter scales and…
The I/O access patterns of many parallel applications consist of accesses to a large number of small, noncontiguous pieces of data. If an application's I/O needs are met by making many small, distinct I/O requests, however, the I/O…
A novel approach is presented to teach the parallel and distributed computing concepts of synchronization and remote memory access. The single program multiple data (SPMD) partitioned global address space (PGAS) model presented in this…
We present POLO --- a C++ library for large-scale parallel optimization research that emphasizes ease-of-use, flexibility and efficiency in algorithm design. It uses multiple inheritance and template programming to decompose algorithms into…
This paper describes `Ludwig', a versatile code for the simulation of Lattice-Boltzmann (LB) models in 3-D on cubic lattices. In fact `Ludwig' is not a single code, but a set of codes that share certain common routines, such as I/O and…
Dataset storage, exchange, and access play a critical role in scientific applications. For such purposes netCDF serves as a portable and efficient file format and programming interface, which is popular in numerous scientific application…
latfield2 is a C++ library designed to simplify writing parallel codes for solving partial differen- tial equations, developed for application to classical field theories in particle physics and cosmology. It is a significant rewrite of the…
Nowadays, the paradigm of parallel computing is changing. CUDA is now a popular programming model for general purpose computations on GPUs and a great number of applications were ported to CUDA obtaining speedups of orders of magnitude…
Load balancing is a widely accepted technique for performance optimization of scientific applications on parallel architectures. Indeed, balanced applications do not waste processor cycles on waiting at points of synchronization and data…
Mixed-integer programming (MIP) is a well-established framework for computer-aided molecular design (CAMD). By precisely encoding the molecular space and score functions, e.g., a graph neural network, the molecular design problem is…
Practitioners of lattice QCD/QFT have been some of the primary pioneer users of the state-of-the-art high-performance-computing systems, and contribute towards the stress tests of such new machines as soon as they become available. As with…
We develop a new lattice gauge theory code set JuliaQCD using the Julia language. Julia is well-suited for integrating machine learning techniques and enables rapid prototyping and execution of algorithms for four dimensional QCD and other…
We specify a file-oriented data format suitable for parallel, partition-independent disk I/O. Here, a partition refers to a disjoint and ordered distribution of the data elements between one or more processes. The format is designed such…