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CPMD (Application)

Introduction

The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Availability Table

Version Default Module Systems
3.17.1 True orca, wobbie

Documentation

https://www.sharcnet.ca/help/index.php/CPMD

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Change Log

o May 26, 2014: Reinstalled cpmd/3.15.1 on mako and guppy for short term testing.
o May 13, 2014: Removed legacy current installation of cpmd 3.13.2 from requin and cpmd/3.15.1 module from brown, guppy, hound, kraken, mako, orca, redfin, and saw.
o Apr 22, 2014: Installed cpmd/3.17.1 on brown, hound, redfin, saw, orca and wobbie.
o Apr 20, 2011: Installed cpmd 3.15.1 on angel, brown, goblin, guppy, hound, kraken, mako, orca and gulper. Now includes module and mpi support.
o Oct 16, 2012: Removed cpmd 3.15.1 from gige cluster angel, brown, goblin and mako.