CP2K

Introduction

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

 Available Version: 4.1

Built on: Cray Programming Enviornment-6.0.4

To load the module

module load cp2k/4.1/cce-8.6.1

To check Environmental paths

module show cp2k/4.1/cce-8.6.1

Built on: GNU Programming Enviornment-6.0.4

To load the module

module load cp2k/4.1/gcc-7.1.0

To check Environmental paths

module show cp2k/4.1/gcc-7.1.0

Executable Binary :

           cp2k.psmp

Report Problems to:

If you encounter any problem in using this software please contact System Administrators in #103
(SERC)