Software:dl poly

From CAC Wiki
Jump to: navigation, search

DL_POLY (Classic)

DL_POLY Classic is a general purpose molecular dynamics simulation package. It is based on the package DL_POLY_2, which was originally developed for the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases (CCP5).

  • Current Version: 1.9 (classic)
  • Location: /opt/dl_poly
  • Related link: POLY_DL Classic Home Page
  • Documentation: User's Manual in pdf format
  • Note: There are two executables DLPOLY.gfortran.X and DLPOLY.Intel.X that are compiled with different compilers. Before executing the gfortran version, the "use openmpi" command should be issued. Before executing the Intel version, tghe "use icsmpi" command should be issued.