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Title: Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92

Abstract

The objectives of this project were to improve the programming environment for scientific applications on shared-memory (SMP) and massively-parallel (MMP) computer systems and to develop high-performance, parallel rational drug design applications. The collaborators, IBM Corp., BioNumerik Pharmaceuticals (BNP), and Lawrence Livermore National Laboratory (LLNL), each brought unique expertise to the project. IBM contributed state-of-the-art SMP and MMP computer systems; BNP provided proprietary quantum mechanical and statistical mechanical molecular dynamics codes and experimental data; and LLNL contributed its high-performance Sisal compilers, runtime systems, and programming tools.

Authors:
 [1];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1431000
Report Number(s):
LLNL-TR-748440
DOE Contract Number:  
AC52-07NA27344
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE

Citation Formats

DeBoni, T., Burns, N., and Hausheer, F. Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92. United States: N. p., 2018. Web. doi:10.2172/1431000.
DeBoni, T., Burns, N., & Hausheer, F. Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92. United States. doi:10.2172/1431000.
DeBoni, T., Burns, N., and Hausheer, F. Thu . "Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92". United States. doi:10.2172/1431000. https://www.osti.gov/servlets/purl/1431000.
@article{osti_1431000,
title = {Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92},
author = {DeBoni, T. and Burns, N. and Hausheer, F.},
abstractNote = {The objectives of this project were to improve the programming environment for scientific applications on shared-memory (SMP) and massively-parallel (MMP) computer systems and to develop high-performance, parallel rational drug design applications. The collaborators, IBM Corp., BioNumerik Pharmaceuticals (BNP), and Lawrence Livermore National Laboratory (LLNL), each brought unique expertise to the project. IBM contributed state-of-the-art SMP and MMP computer systems; BNP provided proprietary quantum mechanical and statistical mechanical molecular dynamics codes and experimental data; and LLNL contributed its high-performance Sisal compilers, runtime systems, and programming tools.},
doi = {10.2172/1431000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {3}
}

Technical Report:

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