Cpmd

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Contents

Website

cpmd.org

Installation

Installed in /apps/cpmd

Creating the Makefile (MPI Version): 

$ ./mkconfig.sh IFORT-AMD64-MPI > Makefile

Creating the Makefile (Serial Version): 

$ ./mkconfig.sh IFORT-AMD64 > Makefile

The builds for these are called cpmd.x and cpmd, respectively. They have been installed in /apps/cpmd/bin.

Dependencies

This software package requires the atlas libraries, which are also getting installed in the cpmd application directory. This is only required for the MPI version of the CPMD software.

The precompiled libraries were found here: libatlas_x86_64.a

These libraries were placed in the SOURCE directory for the software to build against.

Pseudopotential Libraries

Some of these libraries are located here: 

/apps/cpmd/CPMD-3.11.1/PPLIBNEW
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