Gaussian 09W Reference
The Default.Rou Configuration File
Many default characteristics of Gaussian 09W may be specified in
its configuration file, Default.Rou.
This file is located in the main G09W directory; it is set up automatically for
your system when the program is installed. If the system configuration changes—if
you add more memory, for example—you will want to change it. You may want
to add additional items.
Note: The file is called “Default.Route” on
other operating systems. When you encounter this name in general Gaussian 09
documentation, know that Default.Rou is that you use under Windows.
Here are the contents of a Default.Rou file
that might be installed on a computer with several gigabytes of memory and four
processors:
-M- 512MB
-P- 4
The first line specifies the maximum memory usage to be 512 MB (increasing
it from the default of 256 MB). This value can be overridden for an individual
job with the %Mem Link 0 command. Do not set this value to the
total amount of memory in the system, since you will need to leave some available
for Windows and other concurrent applications. However, if you increase the amount
of memory on the system, you will need to increase this parameter to take advantage
of it. The second line says to run jobs on four processors by default.
You may want to set additional options in the Default.Rou file.
A very useful option to set is MaxDisk, which specifies the
amount of available scratch space on the system (the defaul unit is again 8-byte
words). Here is an example line which sets it to 40 GB:
-#- MaxDisk=40GB
This option enables the use of density fitting sets wherever applicable and
possible:
-#- DensityFit
In general, defaults for any applicable route section keywords may be set
in the Default.Rou file.
These defaults may always be overridden by the route section of an individual
job. See the Gaussian 09 User’s Reference for a full discussion
of this configuration file and its possible options.
Last update: 23 September 2011
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