Running Gaussian Jobs under Windows

On each PC the gaussian program has been installed on drive E under E:\g03w: In addition a directory USER has been generated as working directory. So please always use the directory E:\g03w\user for all tasks to be carried out in this seminar. Furthermore, a batch file has been copied into the direktory E:\g03w\user called batch.bat. This file enables all Gaussian user to run g03w without the standard g03w frame and more important, a series of different batch jobs can be started.

The batch.bat file can be opened and changed with the standard editor(notepad.exe can be found either under c:\windows or c:\windows\system32):

REM batch program for a local machine with Windows - no queuing system



g03.exe test1.gjf test1.log

@echo test1 finished

g03.exe test2.gjf test2.log

@echo test2 finished


In this case two input files will be started and processed: (i) test1.gjf and once test1.gjf is finished (ii) test2.gjf.

If more than two jobs are supposed to be queued than add a line such as:

g03.exe test3.gjf test3.log

If only one job is supposed to be run than delete:

g03.exe test2.gjf test2.log

@echo test2 finished

The echo command only displays the status of each jobs.

A typical input example named test1 has the following structure:

Note: Please delete .chk files once the seminar is finished. Chk file are very large and a great number of undeleted .chk files may result in disc problems