Editing Vasp.sh (section)

== INSTALLATION STEPS == 


1) Download and uncompress the script:

 [[Image:vasp.tgz]]

2) Edit the script vasp.sh and in lines 50 and 82 change ''maxgarcia'' by your ICIQ's e-mail account (I don't want to receive an e-mail every time you submit a job to the cluster!)

3) If you want to run this script from whatever directory you are working on, save it into a directory that exists in your $PATH (check it by typing: ''echo $PATH'').

4) Now you can run the script typing:

 ''vasp.sh job queue proc''


'''IMPORTANT NOTES:'''   

- This script uses ''vasp_4.6'' for jobs to be run in ''tekla'' and ''vasp_5.2'' for those to be run in ''tekla2''.

- By default, this script removes the files WAVECAR, CHG and CHGCAR. If you need them, just remove from the line 66 and 103 of the script vasp.sh the following: ''rm CH* W*''