Related papers: Fortran interface layer of the framework for devel…
High-performance computing platforms are becoming more and more heterogeneous, which makes it very difficult for researchers and scientific software developers to keep up with the rapid changes on the hardware market. In this paper, the…
New ideas in distributed systems (algorithms or protocols) are commonly tested by simulation, because experimenting with a prototype deployed on a realistic platform is cumbersome. However, a prototype not only measures performance but also…
Forward flux sampling (FFS) provides a convenient and efficient way to simulate rare events in equilibrium or non-equilibrium systems. FFS ratchets the system from an initial state to a final state via a series of interfaces in phase space.…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
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…
The large-scale computer simulation of a system of physical fields governed by partial differential equations requires some means of approximating the mathematical limit of continuity. For example, conservation laws are often treated with a…
This study evaluates the capabilities of ChatGPT versions 3.5 and 4 in generating code across a diverse range of programming languages. Our objective is to assess the effectiveness of these AI models for generating scientific programs. To…
We introduce the Piquasso quantum programming framework, a full-stack open-source software platform for the simulation and programming of photonic quantum computers. Piquasso can be programmed via a high-level Python programming interface…
Fractal and fractal-rate stochastic point processes (FSPPs and FRSPPs) provide useful models for describing a broad range of diverse phenomena, including electron transport in amorphous semiconductors, computer-network traffic, and…
Effective models of Cyber-Physical Systems (CPS) are crucial for their design and operation. Constructing such models is difficult and time-consuming due to the inherent complexity of CPS. As a result, data-driven model generation using…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
GPUs and other accelerators are increasingly used for scientific computing. In the future, we want to add GPU support to parallel adaptive mesh refinement (AMR) codes written in Fortran. To understand which changes are necessary to obtain…
In basic computational physics classes, students often raise the question of how to compute a number that exceeds the numerical limit of the machine. While technique of avoiding overflow/underflow has practical application in the electrical…
Despite the importance of sparse matrices in numerous fields of science, software implementations remain difficult to use for non-expert users, generally requiring the understanding of underlying details of the chosen sparse matrix storage…
Simulation frameworks such as Isaac Sim have enabled scalable robot learning for locomotion and rigid-body manipulation; however, contact-rich simulation remains a major bottleneck for deformable object manipulation. The continuously…
We present an $R$-matrix Fortran package to solve coupled-channel problems in nuclear physics. The basis functions are chosen as Lagrange functions, which permits simple calculations of the matrix elements. The main input are the coupling…
In this document we report on the recent development of a C++ interface to the FORTRAN-based evolution program QCDNUM. A short description of the interface is given with a few basic examples of its usage.
A large amount of numerically-oriented code is written and is being written in legacy languages. Much of this code could, in principle, make good use of data-parallel throughput-oriented computer architectures. Loo.py, a…
Due to its flexible architecture, FPGAs support unique, deep hardware pipeline implementations for accelerating HPC applications. However, these devices are quite new in the HPC space, and thus, have been scarcely explored outside some…
Existing GPU libraries often struggle to fully exploit the parallel resources and on-chip memory (SRAM) of GPUs when chaining multiple GPU functions as individual kernels. While Kernel Fusion (KF) techniques like Horizontal Fusion (HF) and…