Dlpoly-Classic

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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

modules documentation

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_DLPOLY_DIR - installation directory
  • HPC_DLPOLY_BIN - executable directory