Adjust.sh

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The script adjust.sh prepares a .sub file, ready to be run on the queue you want.

Launching: adjust.sh queue proc comp

          queue is the type of processor where I want to run the calculation; acceptable options: c0 q0 c4m8 c8m24

          proc is the number of processors
          comp is where we are running the calculation; available options: tekla1|tek1|t1 for tekla and tekla2|tek2|t2 for tekla2

Output file: file (without the .com extension; ready to be read with p4v, for example)

Used files/subprograms: x.mInv

INSTALLATION STEPS

1) First of all, download the program:

      File:Gv vasp.tgz

and uncompress it.

2) As soon as you have done it, get this:

      File:MInv.tgz

uncompress it and compile it: g77 mInv.f -o x.mInv and put it in the directory you want (named, for simplicity, directory A).

3) CHANGE THE PATH THAT APPEARS IN LINE 12 of gv_vasp.sh

  /home/lbellarosa/src/complex/Cell  ===>  path of directory A

the path where you put your x.mInv program (i.e., /home/nlopez/Trabajo/directory A/x.mInv).

4) Now you can run the script typing:

      gv_vasp.sh file