====P4vasp====

Please also see P4vasp for postprocessing etc.

[[howto:p4vasp|http://wiki.chpc.ac.za/howto:p4vasp]]

====VASP====

**NOTE:** The CHPC does **NOT** hold a license for VASP and the software is only accessible to those who have a valid license of their own.

You need to ensure that the relevant VASP files are in the directory were you wish to submit your job from.
Run **qvasp_5.3** or **qvasp_5.4.1** (and press **<TAB>** key to see available options) for example in order to generate a PBS script and submit a job to the cluster.
Examples of the script are provided below:

**Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the Easy Scripts should be visible and available:

  module load chpc/easy_scripts

 Examples of input required for these scripts are provided below. 

                    EXAMPLE1
  Enter project name/shortname
  CHEM0100
  Enter job name
  test
  Enter number of nodes on which to run job
  1
  Enter total walltime (hour:minute)
  2:00
  Enter email address
  testing@gmail.com
  Generated pbs file for test
  Do you wish to submit job to cluster (y/n)
  y

  
    EXAMPLE2 [PLEASE TAKE NOTE OF EMPTY SPACES]
  Enter project name/shortname
  CHEM0100
  Enter job name
  test
  Enter number of nodes on which to run job
  
  Enter total walltime (hour:minute)
  
  Enter email address
  testing@gmail.com
  Generated pbs file for test
  Do you wish to submit job to cluster (y/n)
  y