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Title: CoMD Implementation Suite in Emerging Programming Models

CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecular dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended to support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7] ;  [8]
  1. Lawrence Livermore National Laboratory
  2. Purdue
  3. Barcelona Computing Center
  4. LSU
  5. University of Delaware
  6. NM State
  7. Imperial College
  8. University of Chicago
Publication Date:
OSTI Identifier:
1240410
Report Number(s):
CoMD-Em; 004650WKSTN00
LLNL-CODE-683850
DOE Contract Number:
AC52-07NA27344
Resource Type:
Software
Software Revision:
00
Software Package Number:
004650
Software Package Contents:
Open Source Software Package available from Lawrence Livermore National Laboratory at the following URL: https://github.com/LLNL/CoMD-Chape
Software CPU:
WKSTN
Open Source:
Yes
Source Code Available:
Yes
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE
Contributing Orgs:
Lawrence Livermore National Laboratory
Country of Publication:
United States

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