Identification

Title

Natural Load Indices (NLI) in NAMD2 load balancing algorithms

Abstract

Existing measurement-based load indices generally provide adequate performance when used with dynamic load balancing algorithms in parallel scientific applications. An alternative that we present are natural load indices (NLI) that facilitate further performance improvement and better resource usage. Example NLIs are mass of an atom in a Molecular Dynamics (MD) code or rainfall amounts in a climate simulation. This paper presents performance results when we implement NLIs in NAMD2 a MD code. MD simulations are important for drug and medical research and require significant computational resources for long time periods. While an initial cost is incurred during code development in manually determining that NLIs exist, they can then be used at run-time with lower overhead and can reduce total execution time. Results indicate maximum improvement of 21% when comparing existing to NLI based algorithms with 10% overall improvement.

Resource type

document

Resource locator

Unique resource identifier

code

http://n2t.net/ark:/85065/d7765dr3

codeSpace

Dataset language

eng

Spatial reference system

code identifying the spatial reference system

Classification of spatial data and services

Topic category

geoscientificInformation

Keywords

Keyword set

keyword value

Text

originating controlled vocabulary

title

Resource Type

reference date

date type

publication

effective date

2016-01-01T00:00:00Z

Geographic location

West bounding longitude

East bounding longitude

North bounding latitude

South bounding latitude

Temporal reference

Temporal extent

Begin position

End position

Dataset reference date

date type

publication

effective date

2014-07-01T00:00:00Z

Frequency of update

Quality and validity

Lineage

Conformity

Data format

name of format

version of format

Constraints related to access and use

Constraint set

Use constraints

Limitations on public access

None

Responsible organisations

Responsible party

contact position

OpenSky Support

organisation name

UCAR/NCAR - Library

full postal address

PO Box 3000

Boulder

80307-3000

email address

opensky@ucar.edu

web address

http://opensky.ucar.edu/

name: homepage

responsible party role

pointOfContact

Metadata on metadata

Metadata point of contact