相关论文: Poster on MPI application in Computational Fluid D…

Simulating electrified metal/water interfaces with explicit solvent under constant potential is essential for understanding electrochemical processes, yet remains prohibitively expensive with ab initio methods. We present TRECI, a…

In this paper, we detail how two types of distributed coordinator election algorithms can be compared in terms of performance based on an evaluation on the High Performance Computing (HPC) infrastructure. An experimental approach based on…

This volume contains the papers presented at the Tenth International Workshop on Developments in Computational Models (DCM) held in Vienna, Austria on 13th July 2014, as part of the Vienna Summer of Logic. Several new models of computation…

In this paper, we propose to use magnetic nanoparticles as information carriers for molecular communication. This enables the use of an external magnetic field to guide information-carrying particles towards the receiver. We show that the…

In this paper I describe some results on the use of virtual processors technology for parallelize some SPMD computational programs. The tested technology is the INTEL Hyper Threading on real processors, and the programs are MATLAB scripts…

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…

This paper presents the design and implementation of a modular multi-document interface (MDI) framework for scientific visualization and simulation in the Java Virtual Machine (JVM) ecosystem. The framework emphasizes architectural…

This paper provides some new approaches to MPI implementations to improve MPI performance. These approaches include dynamically composable libraries, reducing average layer numbers of MPI libraries, and a single entity of MPI-network,…

We develop a novel Moving Particle Simulation (MPS) method to accurately reproduce the motion of fibers floating in sheared liquids. In conventional MPS schemes, if a fiber suspended in a liquid is represented by a one-dimensional array of…

As fusion energy devices advance, plasma simulations are crucial for reactor design. Our work extends BIT1 hybrid parallelization by integrating MPI with OpenMP and OpenACC, focusing on asynchronous multi-GPU programming. Results show…

Summary: The development of automated servers to predict the three-dimensional structure of proteins has seen much progress over the years. These servers make modeling simpler, but largely exclude users from the process. We present an…

MPI is the most widely used data transfer and communication model in High Performance Computing. The latest version of the standard, MPI-3, allows skilled programmers to exploit all hardware capabilities of the latest and future…

We present a pedagogical introduction to the current state of quantum computing algorithms for the simulation of classical fluids. Different strategies, along with their potential merits and liabilities, are discussed and commented on.

Recent advancements in hardware accelerators such as Tensor Processing Units (TPUs) speed up computation time relative to Central Processing Units (CPUs) not only for machine learning but, as demonstrated here, also for scientific modeling…

Theoretical and experimental investigations of water vapor interaction with porous materials are very needful for various fields of science and technology. Not only studies of the interaction of water vapor and porous material as a…

A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…

The true costs of high performance computing are currently dominated by software. Addressing these costs requires shifting to high productivity languages such as Matlab. MatlabMPI is a Matlab implementation of the Message Passing Interface…

MPI+Threads, embodied by the MPI/OpenMP hybrid programming model, is a parallel programming paradigm where threads are used for on-node shared-memory parallelization and MPI is used for multi-node distributed-memory parallelization. OpenMP…

Machine learning is rapidly becoming a core technology for scientific computing, with numerous opportunities to advance the field of computational fluid dynamics. In this Perspective, we highlight some of the areas of highest potential…

Active transport such as fluid flow is sought in molecular communication to extend coverage, improve reliability, and mitigate interference. Flow models are often over-simplified, assuming one-dimensional diffusion with constant drift.…