Zobrazeno 1 - 10
of 294
pro vyhledávání: '"Vandevondele, Joost"'
Autor:
Paredes, Enrique G., Groner, Linus, Ubbiali, Stefano, Vogt, Hannes, Madonna, Alberto, Mariotti, Kean, Cruz, Felipe, Benedicic, Lucas, Bianco, Mauro, VandeVondele, Joost, Schulthess, Thomas C.
All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately, this appro
Externí odkaz:
http://arxiv.org/abs/2311.08322
Autor:
Kwasniewski, Grzegorz, Kabić, Marko, Ben-Nun, Tal, Ziogas, Alexandros Nikolaos, Saethre, Jens Eirik, Gaillard, André, Schneider, Timo, Besta, Maciej, Kozhevnikov, Anton, VandeVondele, Joost, Hoefler, Torsten
Publikováno v:
Published at Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November, 2021(SC'21)
Matrix factorizations are among the most important building blocks of scientific computing. State-of-the-art libraries, however, are not communication-optimal, underutilizing current parallel architectures. We present novel algorithms for Cholesky an
Externí odkaz:
http://arxiv.org/abs/2108.09337
Communication-avoiding algorithms for Linear Algebra have become increasingly popular, in particular for distributed memory architectures. In practice, these algorithms assume that the data is already distributed in a specific way, thus making data r
Externí odkaz:
http://arxiv.org/abs/2106.06601
Autor:
Zulian, Patrick, Kopaničáková, Alena, Nestola, Maria Giuseppina Chiara, Fink, Andreas, Fadel, Nur Aiman, Vandevondele, Joost, Krause, Rolf
Non-linear phase field models are increasingly used for the simulation of fracture propagation models. The numerical simulation of fracture networks of realistic size requires the efficient parallel solution of large coupled non-linear systems. Altho
Externí odkaz:
http://arxiv.org/abs/2007.12908
Autor:
Talirz, Leopold, Kumbhar, Snehal, Passaro, Elsa, Yakutovich, Aliaksandr V., Granata, Valeria, Gargiulo, Fernando, Borelli, Marco, Uhrin, Martin, Huber, Sebastiaan P., Zoupanos, Spyros, Adorf, Carl S., Andersen, Casper W., Schütt, Ole, Pignedoli, Carlo A., Passerone, Daniele, VandeVondele, Joost, Schulthess, Thomas C., Smit, Berend, Pizzi, Giovanni, Marzari, Nicola
Publikováno v:
Scientific Data 7, 299 (2020)
Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts 1) archival and dissemination services for raw and curated data, together with
Externí odkaz:
http://arxiv.org/abs/2003.12510
Autor:
Kühne, Thomas D., Iannuzzi, Marcella, Del Ben, Mauro, Rybkin, Vladimir V., Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z., Schütt, Ole, Schiffmann, Florian, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Bani-Hashemian, Mohammad Hossein, Weber, Valéry, Borstnik, Urban, Taillefumier, Mathieu, Jakobovits, Alice Shoshana, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K., Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J., Plessl, Christian, Watkins, Matt, VandeVondele, Joost, Krack, Matthias, Hutter, Jürg
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic
Externí odkaz:
http://arxiv.org/abs/2003.03868
Autor:
Kwasniewski, Grzegorz, Kabić, Marko, Besta, Maciej, VandeVondele, Joost, Solcà, Raffaele, Hoefler, Torsten
We propose COSMA: a parallel matrix-matrix multiplication algorithm that is near communication-optimal for all combinations of matrix dimensions, processor counts, and memory sizes. The key idea behind COSMA is to derive an optimal (up to a factor of
Externí odkaz:
http://arxiv.org/abs/1908.09606
Autor:
Calderara, Mauro, Brueck, Sascha, Pedersen, Andreas, Bani-Hashemian, Mohammad H., VandeVondele, Joost, Luisier, Mathieu
The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly large nanostructures. Based on the Hamiltonian and overlap matrices ge
Externí odkaz:
http://arxiv.org/abs/1812.01396
Matrix-matrix multiplication is a basic operation in linear algebra and an essential building block for a wide range of algorithms in various scientific fields. Theory and implementation for the dense, square matrix case are well-developed. If matric
Externí odkaz:
http://arxiv.org/abs/1705.10218
Publikováno v:
J. Chem. Phys. 144, 054111 (2016)
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. E
Externí odkaz:
http://arxiv.org/abs/1512.00176