Adjust.sh

go back to Main Page, Computational Resources, Scripts, Useful_scripts

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

Launching: adjust.sh queue proc

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

                proc is the number of processors
                

Example: you are in the directory ~/Trabajo/blabla and run adjust.sh q0 16

                ==> the scripts prepares a file called blabla.sub ready to be run with qsub on q0, 16 procs (tekla1).

Output file: dir.sub (where dir is the directory where you are)

Used files/subprograms: proto1.sub, proto2.sub

INSTALLATION STEPS

1) First of all, download the program:

      File:Adjust.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