Jan K. Labanowski: Computational Portals for Chemistry  

Script Example

The script is created from the template which has tags replaced by actual information at run time. For example the line:
#QSUB -j /home/pse/jkl/gaussian-test/session0/GAUSSIAN/job.file
came from the line:
#QSUB -j @@**remoteUserHomeDirectory**@@/@@**WFuser**@@/@@**problemName**@@/@@**sessionName**@@/@@**applicationName**@@/job.file
in the template of the batch script.