Difference between revisions of "DL POLY"
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m (Yingz moved page DL POLY Classic to DL POLY without leaving a redirect: move it to the name used in the latest module file.) |
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Revision as of 21:25, 2 October 2017
Description
dlpoly website
DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory by I.T. Todorov and W. Smith.
DL_POLY Classic is transformed from DL_POLY2 and available as open source under the BSD at CCPForge.
Required Modules
Parallel
- intel/2017
- openmpi/2.0.3
- dlpoly/4.08
System Variables
- HPC_{{#uppercase:dlpoly}}_DIR - installation directory
- HPC_{{#uppercase:dlpoly}}_BIN - executable directory
- HPC_{{#uppercase:dlpoly}}_LIB - library directory