Difference between revisions of "DL POLY"
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Revision as of 21:22, 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
Seial
- intel/2013.sp1.3.174
- dlpoly/1.9
Parallel
- intel/2013.sp1.3.174
- openmpi/1.8.6
- dlpoly/1.9
System Variables
- HPC_{{#uppercase:dlpoly}}_DIR - installation directory
- HPC_{{#uppercase:dlpoly}}_BIN - executable directory