Vasp.sh

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The script vasp.sh prepares and submits a .sub file to the queue you want to run it.

Script Syntax: vasp.sh job queue proc

job is the name of the job you want to run.

               queue is the type of processor where you want to run the job.
               (c0:mono; q0:quad; c4m8:4cores with 8GB; c8m24:8cores with 24GB; c12m48ib:12cores with 48GB and Infini Band).
               proc is the number of processors you want to use for the calculation.
                

Example: vasp.sh example c4m8 16 ==> the script prepares and submits a file called example.sub to the c4m8 queue using 16 procs (tekla2).

INSTALLATION STEPS

1) First of all, download the program:

      File:Vasp.tgz

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