DL POLY

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Short Description

A parallel classical molecular dynamics package employed in simulations of a variety of systems, including macromolecules, solids, and polymers.

Modulefile

dl_poly

Documentation

DL_POLY Homepage

Usage

Here is an example of a submission script to run DL_POLY in parallel:

#$ -cwd
#$ -l h_rt=1:0:0
#$ -pe ompi* 4

module load dl_poly
mpirun DLPOLY.Y

Here is an example of a submission script to run DL_POLY serially:

#$ -cwd
#$ -l h_rt=1:0:0

module load dl_poly
DLPOLY.Y