Theory

VASP-HEBBE

VASP is currently installed on Hebbe, as VASP 5.3 and VASP 5.4.

However, if you wish to install your own version of VASP 5.3 (for example to add specific patches for your particular work), you will need two folders of files:

1) Library files (called vasp.5.lib)

2) Main vasp files (called vasp.5.3)

you can get them from various group members (Maxime, Chris, Henrik).

To compile:

1) load the following modules

$ module load imkl

$ module load intelcompilers

2) Go to the vasp.5.lib directory, copy "Attach:makefile-lib" to "makefile" in that directory, and run

$ make

3) Go to the vasp.5.3 directory, copy "Attach:makefile-vasp" to "makefile" in that directory and run

$ make

this should give you a parallel executable of vasp with all the required mpi and fftw packages.

General

Experiment

Theory

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