Adjust.sh

go back to Main Page, Computational Resources, Scripts, Scripts for VASP

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 the files:

      File:Proto1.tgz, File:Proto2.tgz

and uncompress them. Place the files proto1.sub and proto2.sub in a directory of your choice, named for simplicity directory A.

2) Go to line 35 of adjust.sh and change the path with the path of the directory A. For example:

dir=/hombe/lbellarosa/bin/scripts/VASP ===> dir=/home/nlopez/Trabajo/abracadabra/VASP

3) Now you can run the script typing:

      adjust.sh queue processors