Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round
View larger
  • Status: Final Book
  • Downloads: 237



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.


Publication Info

20 pages | 8 1/2 x 11
Research Tools

Suggested Citation

National Research Council. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press, 2012.

Import this citation to:

Copyright Information

The National Academies Press (NAP) has partnered with Copyright Clearance Center's Rightslink service to offer you a variety of options for reusing NAP content. Through Rightslink, you may request permission to reprint NAP content in another publication, course pack, secure website, or other media. Rightslink allows you to instantly obtain permission, pay related fees, and print a license directly from the NAP website. The complete terms and conditions of your reuse license can be found in the license agreement that will be made available to you during the online order process. To request permission through Rightslink you are required to create an account by filling out a simple online form. The following list describes license reuses offered by the National Academies Press (NAP) through Rightslink:

  • Republish text, tables, figures, or images in print
  • Post on a secure Intranet/Extranet website
  • Use in a PowerPoint Presentation
  • Distribute via CD-ROM
  • Photocopy

Click here to obtain permission for the above reuses. If you have questions or comments concerning the Rightslink service, please contact:

Rightslink Customer Care
Tel (toll free): 877/622-5543
Tel: 978/777-9929

To request permission to distribute a PDF, please contact our Customer Service Department at 800-624-6242 for pricing.

To request permission to translate a book published by the National Academies Press or its imprint, the Joseph Henry Press, please click here to view more information.

Related Books more

More by the Board on Life Sciences more