How to Run MOPAC

Setting MOPAC in your environment

To set up your environment to use MOPAC, use the module command:

module load mopac


See How to use the module command for further information.

How to Run MOPAC in Batch

To run MOPAC in batch in the directory where you have your mopac input file create a script such as:

########################################################
# sample mopac script
#!/bin/bash

. /u/local/Modules/default/init/modules.sh
module load mopac

mopac mymopinputfile.mop

########################################################

where myinputfile.mop is your MOPAC input file.

To prepare your own submission script see Running a Batch Job for guidelines to follow to create the required UGE command file. Alternatively, you could create an UGE command file with the IDRE queue script job.q

How to Run MOPAC Interactively

To run MOPAC interactively on the cluster please request an interactive node with qrsh (see: How to Get and Interactive Session through UGE for further information), set MOPAC into your environment, and invoke any MOPAC commands at the command line as needed.