Name:DL_POLY
Description:DL_POLY is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of
macromolecules, polymers, ionic systems, solutions and other molecular systems on a distributed
memory parallel computer.
The package was written to
support the UK project
CCP5 by Bill Smith and Tim Forester under grants from the Engineering and Physical Sciences
Research Council and is
the property of the Science
and Technology Facilities Council
(STFC).
Two forms of DL_POLY exist.
DL_POLY_2 is the earlier version
and is based on a replicated data
parallelism.
It is suitable for simulations
of up to 30,000 atoms on up to 100
processors.
DL_POLY_3 is a domain decomposition version,
written by I.T. Todorov
and W. Smith, and is designed for
systems beyond the range of
DL_POLY_2 up to 10,000,000 atoms
(and beyond) and 1000 processors.
Abstract:DL_POLY is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of
macromolecules, polymers, ionic systems, solutions and other molecular systems on a distributed
memory parallel computer.
The package was written to
support the UK project
CCP5 by Bill Smith and Tim Forester under grants from the Engineering and Physical Sciences
Research Council and is
the property of the Science
and Technology Facilities Council
(STFC).
Two forms of DL_POLY exist.
DL_POLY_2 is the earlier version
and is based on a replicated data
parallelism.
It is suitable for simulations
of up to 30,000 atoms on up to 100
processors.
DL_POLY_3 is a domain decomposition version,
written by I.T. Todorov
and W. Smith, and is designed for
systems beyond the range of
DL_POLY_2 up to 10,000,000 atoms
(and beyond) and 1000 processors.
Created:2010-05-01
Last updated:2013-09-04
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