Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Rogeli Grima"'
Publikováno v:
Open Research Europe, Vol 4 (2024)
Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes
Externí odkaz:
https://doaj.org/article/1990c4f70b1d4158a49b621fd8e63fdf
Publikováno v:
Open Research Europe, Vol 4 (2024)
Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes
Externí odkaz:
https://doaj.org/article/6f6d1e0bba1a4f3bb106975dc132137f
Publikováno v:
Open Research Europe, Vol 4 (2024)
Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes
Externí odkaz:
https://doaj.org/article/db12896a45b1479cb634d57e14db1c51
Publikováno v:
Open Research Europe, Vol 4 (2024)
This article introduces a suite of mini-applications (mini-apps) designed to optimise computational kernels in ab initio electronic structure codes. The suite is developed from flagship applications participating in the NOMAD Center of Excellence, su
Externí odkaz:
https://doaj.org/article/dfc431585ffd4683ab2747e192bf003f
Publikováno v:
Communications in Computer and Information Science ISBN: 9783030162047
CARLA
CARLA
Direct Numerical Simulation (DNS) with high spatial and temporal resolution of a jet transversely issuing into a turbulent boundary layer subject to very strong favorable pressure gradient (FPG) has been performed. The analysis is done by prescribing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3406b0c4941a77fe80243dbc23a3dfd0
https://doi.org/10.1007/978-3-030-16205-4_13
https://doi.org/10.1007/978-3-030-16205-4_13
Autor:
Pablo Ordejón, Alberto García, José María Cela, Alejandro Soba, C F Sanz-Navarro, Rogeli Grima, Edgar Alejandro Bea
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
9 páginas, 5 figuras, 2 tablas.-- El pdf del artículo es la versión de autor.-- et al.
We present the major features of a new implementation of a QM–MM method that uses the DFT code SIESTA to treat the quantum mechanical subsystem and the A
We present the major features of a new implementation of a QM–MM method that uses the DFT code SIESTA to treat the quantum mechanical subsystem and the A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f2a427cd0c3be823fa4ae70a4c28178
https://doi.org/10.1007/s00214-010-0816-5
https://doi.org/10.1007/s00214-010-0816-5
Publikováno v:
Journal of Grid Computing. 1:151-170
The aim of GRID superscalar is to reduce the development complexity of Grid applications to the minimum, in such a way that writing an application for a computational Grid may be as easy as writing a sequential application. Our assumption is that Gri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f33a7bdc18416c8e049adda54ec7dd73
https://doi.org/10.1023/b:grid.0000024072.93701.f3
https://doi.org/10.1023/b:grid.0000024072.93701.f3
Publikováno v:
Lecture Notes in Computational Science and Engineering ISBN: 9783540927433
We present in this paper the experience of the authors in solving very large problems of computational mechanics on a supercomputer. The authors are researchers of the Barcelona Supercomputing Center-Centro Nacional de Supercomputacion (BSC-CNS), a b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a9d87e86edd24007efce4c042d765045
https://doi.org/10.1007/978-3-540-92744-0_3
https://doi.org/10.1007/978-3-540-92744-0_3