Run-vasp-tekla.s

The running version in Tekla is current version

Make a script like the script bellow this lines an change:

            $JOBNAME as your job name
            $QUEUE_NAME as the corresponding queue name
                    -allowed values are (c0 | q0)
            $N_PROCESSORS as the number of processors requested
            $WORKING_DIRECTORY directory where the inputs have been placed
            

script.sub

            #!/bin/bash
            #$ -N $JOBNAME
            #
            # pe request
            #$ -pe $QUEUE_NAME $N_PROCESSORS
            cd WORKING_DIRECTORY
            /usr/bin/mpirun -np $N_PROCESSORS -machinefile $TMPDIR/machines /usr/local/bin/vasp
            rm CHG* WAVE*