High Performance Software
DL_Poly
DESCRIPTION
DL_POLY is a parallel molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith and T.R. Forester. DL_POLY is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of macromolecules, polymers, ionic systems and solutions on a distributed memory parallel computer. Two versions of DL_POLY are currently available. DL_POLY_2 is the original version which has been parallelized using the Replicated Data strategy and is useful for simulations of up to 30,000 atoms on 100 processors. DL_POLY_3 is a version which uses Domain Decomposition to achieve parallelism and is suitable for simulations of order 1 million atoms on 8-1024 processors.
USAGE
Interactive use:
dlpoly_gui
Batch Use:
submit_dlpoly
LICENSE INFORMATION
For information on supported platforms, versions and licenses, please
check the AFRL DSRC Software Page:
https://www.afrl.hpc.mil/software/
