Batch Control Files for Gaussian98/03 (for Windows)

I’m posting this because I’m tired of looking for copies on my local machines.

A batch control file (such as gaussian.bcf) is used by the Windows version of Gaussian98/03 to set up multiple input files (that are run sequentially). This is useful because the processors never get… underutilized when a calculation finishes on a Friday evening prior to a Monday morning restart (for those who don’t work on weekends). The batch method in Gaussian is quite flawed in that a crashed job will ask for confirmation before moving to the next input file in the series, meaning put your high risk projects at the BOTTOM of the queue. The file structure is provided below. Simply copy-and-paste this text into Notepad, save with a “.bcf” extension, and replace fileN with the names of the Gaussian job files (“.gjf”) in the directory containing the .bcf file.

!user created batch file list
file1.gjf , file1.out
file2.gjf , file2.out
fileN.gjf , fileN.out

The “start=N” parameter in this input file tells Gaussian to start from the filename in line N. To use this file, open Gaussian, go to Utilities > Edit Batch List > File > Open. The .bcf file format will be searched for by default. Simply select the file, close the control window and run the Gaussian job as normal.

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