Publications related to Exascale computing

Multiscale biomolecular simulations in the exascale era

The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. lar dynamics (MD) simulations are crucial for capturing processes beyond the ...

Current Biology Ltd2024

Towards Efficient and Accurate Numerical Simulations of Galaxies using Task-based Parallelism and Application to Dwarf Galaxies

Loïc Hausammann

Numerical simulations are of a tremendous help to understand the growth of non-linear cosmological structures and how they lead to the formation of galaxies. In recent years, with the goal of improving their prediction power, new hydrodynamical techniques ...

EPFL2021

Gem5-X : A Many-Core Heterogeneous Simulation Platform for Architectural Exploration and Optimization

David Atienza Alonso, Marina Zapater Sancho, William Andrew Simon, Yasir Mahmood Qureshi

The increasing adoption of smart systems in our daily life has led to the development of new applications with varying performance and energy constraints, and suitable computing architectures need to be developed for these new applications. In this paper, ...

2021

Quantum ESPRESSO toward the exascale

Nicola Marzari, Iurii Timrov, Roberto Car, Andrea Ferretti

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, ...

AMER INST PHYSICS2020

Predictive Reliability and Fault Management in Exascale Systems

David Atienza Alonso, Marina Zapater Sancho

Performance and power constraints come together with Complementary Metal Oxide Semiconductor technology scaling in future Exascale systems. Technology scaling makes each individual transistor more prone to faults and, due to the exponential increase in the ...

2020

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Nicola Marzari, Giovanni Pizzi, Nicolas Frank Mounet, Martin Uhrin, Andrea Cepellotti, Boris Kozinsky, Fernando Gargiulo, Christoph Leopold Talirz, Leonid Kahle, Aliaksandr Yakutovich, Sebastiaan Philippe Huber, Snehal Pramod Kumbhar, Andrius Merkys, Conrad Johnston, Casper Welzel Andersen, Spyros Zoupanos, Elsa Passaro, Carl Simon Adorf, Francisco Fernando Ramirez

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

2020

Open loop control theory algorithms for high-speed 3D MEMS optical switches

Matthias Imboden

There is a world-wide push to create the next-generation all-optical transmission and switching technologies for exascale data centers. In this paper we focus on the switching fabrics. Many different types of 2D architectures are being explored including M ...

2020

A Minimally Intrusive Low-Memory Approach to Resilience for Existing Transient Solvers

Allan Svejstrup Nielsen

We propose a novel, minimally intrusive approach to adding fault tolerance to existing complex scientific simulation codes, used for addressing a broad range of time-dependent problems on the next generation of supercomputers. Exascale systems have the pot ...

2019

Scaling and Resilience in Numerical Algorithms for Exascale Computing

Allan Svejstrup Nielsen

The first Petascale supercomputer, the IBM Roadrunner, went online in 2008. Ten years later, the community is now looking ahead to a new generation of Exascale machines. During the decade that has passed, several hundred Petascale capable machines have bee ...

EPFL2018

STEP-NC digital thread for additive manufacturing: data model, implementation and validation

Ian Anthony Stroud, Pascal Mognol

Substantial progress and development in additive manufacturing (AM) technologies have been realised during the last decade but have hardly been implemented on AM systems due to old numerical solutions still used by the AM digital thread, for instance STL ( ...

TAYLOR & FRANCIS LTD2018

The LifeV library: engineering mathematics beyond the proof of concept

Simone Deparis, Davide Forti, Luca Formaggia

LifeV is a library for the finite element (FE) solution of partial differential equations in one, two, and three dimensions. It is written in C++ and designed to run on diverse parallel architectures, including cloud and high performance computing faciliti ...

2018

A portable platform for accelerated PIC codes and its application to GPUs using OpenACC

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Trach-Minh Tran, Claudio Gheller

We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on future exascale syste ...

Elsevier Science Bv2016

Enabling HPC for QoS-sensitive applications: the MANGO approach

David Atienza Alonso

In this paper, we provide an overview of the MANGO project and its goal. The MANGO project aims at addressing power, performance and predictability (the PPP space) in future High-Performance Computing systems. It starts from the fundamental intuition that ...

Ieee2016

Leveraging a Cluster-Booster Architecture for Brain-Scale Simulations

James Gonzalo King, Felix Schürmann, Michael Lee Hines, Pramod Shivaji Kumbhar, Aleksandr Ovcharenko

The European Dynamical Exascale Entry Platform (DEEP) is an example of a new type of heterogeneous supercomputing architecture that include both a standard multicore-based "Cluster" used to run less scalable parts of an application, and an Intel MIC-based ...

Springer Int Publishing Ag2016

SPBC: Leveraging the Characteristics of MPI HPC Applications for Scalable Checkpointing

André Schiper, Thomas Ropars

The high failure rate expected for future supercomputers requires the design of new fault tolerant solutions. Most checkpointing protocols are designed to work with any message-passing application but suffer from scalability issues at extreme scale. We tak ...

2013

HydEE: Failure Containment without Event Logging for Large Scale Send-Deterministic MPI Applications

Thomas Ropars

High performance computing will probably reach exascale in this decade. At this scale, mean time between failures is expected to be a few hours. Existing fault tolerant protocols for message passing applications will not be efficient anymore since they eit ...

2012