Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Jeff Larkin"'
Autor:
Scott LeGrand, Mathialakan Thavappiragasam, Jens Glaser, Andreas F. Tillack, Matthew B. Baker, Oscar Hernandez, Josh V. Vermaas, Aaron Scheinberg, David M. Rogers, Ada Sedova, Jeff Larkin, Swen Boehm
Publikováno v:
The International Journal of High Performance Computing Applications. 35:452-468
Time-to-solution for structure-based screening of massive chemical databases for COVID-19 drug discovery has been decreased by an order of magnitude, and a virtual laboratory has been deployed at scale on up to 27,612 GPUs on the Summit supercomputer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a79c7febfe5a67c8e4436b62f2cd6d3
https://doi.org/10.1177/10943420211001565
https://doi.org/10.1177/10943420211001565
Autor:
Josh V. Vermaas, Matthew B. Baker, Jeff Larkin, Oscar Hernandez, Swen Boehm, Jeremy C. Smith, Micholas Dean Smith, Jens Glaser, David M. Rogers, Ada Sedova
Publikováno v:
Computing in Science & Engineering. 23:7-16
The urgent search for drugs to combat SARS-CoV-2 has included the use of supercomputers. The use of general-purpose graphical processing units (GPUs), massive parallelism, and new software for high-performance computing (HPC) has allowed researchers
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::750baf8a0378d2faef6bc753e8c0b21a
https://doi.org/10.1109/mcse.2020.3036540
https://doi.org/10.1109/mcse.2020.3036540
The numerical simulation of quantum circuits is an indispensable tool for development, verification, and validation of hybrid quantum-classical algorithms intended for near-term quantum co-processors. The emergence of exascale high-performance comput
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a6ba161454c2c788860e9d1ff2793c6
Autor:
Luca Bertagna, Andrew G. Salinger, Andrew M. Bradley, Mark A. Taylor, Sivasankaran Rajamanickam, James G. Foucar, Oksana Guba, Jeff Larkin
Publikováno v:
SC
We present an effort to port the nonhydrostatic atmosphere dynamical core of the Energy Exascale Earth System Model (E3SM) to efficiently run on a variety of architectures, including conventional CPU, many-core CPU, and GPU. We specifically target cl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::84cafb7a21fc06fffc7858e0811613e8
https://doi.org/10.1109/sc41405.2020.00096
https://doi.org/10.1109/sc41405.2020.00096
Autor:
Luca Bertagna, Oksana Guba, Andrew Bradley, Mark Taylor, Andrew Salinger, James Foucar, Sivasankaran Rajamanickam, Jeff Larkin
Publikováno v:
Proposed for presentation at the Supercomputing 2020 held November 9-19, 2020..
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6239365e46a1f9797565738c04ed8f5a
https://doi.org/10.2172/1830973
https://doi.org/10.2172/1830973
Autor:
Mathialakan Thavappiragasam, Oscar Hernandez, Josh V. Vermaas, Aaron Scheinberg, Ada Sedova, Andreas Koch, Duncan Poole, Jeremy C. Smith, Leonardo Solis-Vasquez, Stefano Forli, Andreas F. Tillack, Rupesh Agarwal, Scott LeGrand, Diogo Santos-Martins, Jeff Larkin
Publikováno v:
ArXiv
BCB
BCB
Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign. Experimental drug screening is expensive and time consuming, and it is desirab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7295f3947b6aac2db3e726b822acd49
https://europepmc.org/articles/PMC7359529/
https://europepmc.org/articles/PMC7359529/
Publikováno v:
Accelerator Programming Using Directives ISBN: 9783030499426
WACCPD@SC
WACCPD@SC
The US Department of Energy (DOE) started operating two GPU-based pre-exascale supercomputers in 2018 and plans to deploy another pre-exascale in 2020, and three exascale supercomputers in 2021/2022. All of the systems are GPU-enabled systems, and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b17d739a77a55dd15049db336b4aec7f
https://doi.org/10.1007/978-3-030-49943-3_5
https://doi.org/10.1007/978-3-030-49943-3_5
Publikováno v:
Computer Physics Communications. 211:2-7
The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn–Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has tradition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b84be62144eab1cc2ff13560d8f1fd83
https://doi.org/10.1016/j.cpc.2016.07.013
https://doi.org/10.1016/j.cpc.2016.07.013
Autor:
Jeff Larkin
The purpose of this chapter is to introduce OpenACC programming by accelerating a real benchmark application. Readers will learn to profile the code and incrementally improve the application by adding OpenACC directives. By the end of the chapter the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::922c42b95e0c28a53fcea3c0ea5f94a8
https://doi.org/10.1016/b978-0-12-410397-9.00002-0
https://doi.org/10.1016/b978-0-12-410397-9.00002-0
Autor:
Jeff Larkin
This chapter introduces OpenACC to CUDA programmers. It starts with the kernel and parallel regions and their associated clauses. It further introduces the concept of data regions that allow the programmers to control data transfers. It concludes wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f9260cca6d7f982c60709d72aba4a9ad
https://doi.org/10.1016/b978-0-12-811986-0.00019-4
https://doi.org/10.1016/b978-0-12-811986-0.00019-4