Supercomputing For Molecular Dynamics Simulations

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Supercomputing For Molecular Dynamics Simulations

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Author : Alexander Heinecke
language : en
Publisher: Springer
Release Date : 2015-03-30

Supercomputing For Molecular Dynamics Simulations written by Alexander Heinecke and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-03-30 with Computers categories.

This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics

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Author : National Research Council
language : en
Publisher: National Academies Press
Release Date : 2013-09-25

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics written by National Research Council and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-09-25 with Science categories.

This letter report evaluates proposals for allocation of time to the non-commercial research community on Anton, a supercomputer specially designed and built by D.E. Shaw Research (DESRES) that allows for dramatically increased molecular dynamics simulations compared to other currently available resources. Over the past three years (October 1, 2010 ââ'¬" September 30, 2013), DESRES has made available to the non-commercial research community node-hours on an Anton system housed at the Pittsburgh Supercomputing Center (PSC), based on the advice of previous National Research Council committees convened in 2010, 2011, and 2012.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics Seventh Round

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Author : National Academies of Sciences, Engineering, and Medicine (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics
language : en
Publisher:
Release Date : 2016

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics Seventh Round written by National Academies of Sciences, Engineering, and Medicine (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with Molecular dynamics categories.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics

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Author : Board on Life Sciences
language : en
Publisher:
Release Date : 2012-10-24

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics written by Board on Life Sciences and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-24 with categories.

The committee evaluated submissions received in response to a request for proposals (RFP) for Biomolecular Simulation Time on Anton, a supercomputer specially designed and built by D.E. Shaw Research (DESRES) that allows for dramatically increased molecular dynamics simulations compared to other currently available resources. During the past 2 years, DESRES has made available to the non-commercial research community node-hours on an Anton system housed at the Pittsburgh Supercomputing Center (PSC), based on the advice of previous National Research Council committees convened in the falls of 2010 and 2011. The success of the program has left DESRES to make the Anton machine housed at the PSC available for an additional 3.7 million node-hours during the 9 months following October 2012. DESRES has asked the National Research Council (NRC) to once again facilitate the allocation of time to the non-commercial research community. To undertake this task, the NRC convened a committee of experts to evaluate the proposals submitted in response to the aforementioned RFP. The committee members were selected for their expertise in molecular dynamics simulations, as well as their experience in the subject areas represented in the 52 proposals that were considered by the committee. They comprised a cross-section of the biomolecular dynamics field in academia, industry, and government, including an array of both senior and junior investigators. The goal of the third RFP for Biomolecular Simulation Time on Anton has been to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations. These special capabilities allow multi-microsecond to millisecond simulation timescales, which previously had been unobtainable. The program seeks to continue to support research that addresses important and high-impact questions demonstrating a clear need for Anton's special capabilities.Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round is a summary of the proposals, research, and criteria set forth in the RFP for Biomolecular Simulation Time on Anton.

Supercomputing 88 Supercomputing Projects Applications And Artificial Intelligence

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Author :
language : en
Publisher:
Release Date : 1988

Supercomputing 88 Supercomputing Projects Applications And Artificial Intelligence written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Supercomputers categories.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics

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Author :
language : en
Publisher:
Release Date : 2011

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Molecular dynamics categories.

Supercomputing For Scientific Visualisation

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Author : Sunita Mahajan
language : en
Publisher:
Release Date : 1994

Supercomputing For Scientific Visualisation written by Sunita Mahajan and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Computer graphics categories.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics Sixth Round

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Author : National Academies of Sciences, Engineering, and Medicine (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics
language : en
Publisher:
Release Date : 2015

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics Sixth Round written by National Academies of Sciences, Engineering, and Medicine (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Molecular dynamics categories.

This report describes the work of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round. The committee evaluated submissions received in response to a Request for Proposals (RFP) for biomolecular simulation time on Anton, a supercomputer specially designed and built by D.E. Shaw Research (DESRES). Over the past five years, DESRES has made an Anton system housed at the Pittsburgh Supercomputing Center (PSC) available to the non-commercial research community, based on the advice of previous National Research Council committees. As in prior rounds, the goal of the sixth RFP for simulation time on Anton is to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations. The program seeks to continue to support research that addresses important and high impact questions demonstrating a clear need for Anton's special capabilities. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round is the report of the committee's evaluation of proposals based on scientific merit, justification for requested time allocation, and investigator qualifications and past accomplishments. This report identifies the proposals that best met the selection criteria.

Supercomputing 8 9 Supercomputer Applications

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Author :
language : en
Publisher:
Release Date : 1989

Supercomputing 8 9 Supercomputer Applications written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Supercomputers categories.

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics

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Author : National Research Council (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics
language : en
Publisher:
Release Date : 2013

Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics written by National Research Council (U.S.). Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Molecular dynamics categories.