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CPMD

Table of Contents

Introduction

CPMD is software for ab initio molecular dynamics. Users should be aware of the license requirements.

Licensing and access

Prospective CPMD users should be aware of the license requirements. Access to the software on WestGrid is controlled by membership in a UNIX group, wg-cpmd.  To be added to wg-cpmd, please first apply for a license to download the software at the CPMD web site.  (You don't have to actually download the software if using the WestGrid installations). After your license has been approved, write to support@westgrid.ca with a subject line of the form "CPMD access requested for your_user_name", substituting your own WestGrid user name. In the body of the message, indicate that you have registered at CPMD.org.  WestGrid then has to write to CPMD.org to get their approval before adding your user name to wg-cpmd.

Running CPMD on WestGrid systems

No specific running instructions are available at this time other than the brief Usage Notes on the Software Versions page (accessible through a tab above), which also lists the versions of CPMD that are available and the WestGrid systems on which they have been installed.

2014-10-28 - Added access conditions for wg-cpmd membership.