Gauss 6 0 Software

Double click on the GAUSS 6.0 icon. Then, you will see: 2. Type “chdir c: seminar” (or a: if you use a floppy disk) on the command window and push the return button. By doing so, you can change your working directory to “seminar” Basic-1. Download Gauss SPC. Working with GausSPC is quick and easy. Logical, intuitive - and therefore simple workflows have been developed through working with people from the shop-floor.

Preliminaries System Requirements • The Gaussian directories will require about 2-3 GB of disk space for the executables, depending on the computer system. • The default memory allocation in Gaussian 16 is 800 MB. The large fixed dimensions in the program necessitate a swap space size of 1–2 GB.

Of course, additional swap space will be required if more memory is requested in a job by using the Link 0 command, or via the -M- command in the file. These requirements are for each simultaneously executing job.

• Refer to the platform list which comes with the CD. The most recent version of this document can always be found at. Configuring the Gaussian Execution Environment Gaussian locates executables and creates scratch files in directories specified by several environment variables. The user is responsible for defining two of them: • g16root: Indicates the directory where the g16 subdirectory resides (i.e., the directory above it). • GAUSS_SCRDIR: Indicates the directory which should be used for scratch files.

Initialization Files The Gaussian system includes initialization files to set up the user environment for running the program. These files are: $g16root/g16/bsd/g16.login C shell $g16root/g16/bsd/g16.profile Bourne shell It is customary to include lines like the following within the.login or.profile file for Gaussian users:.login files: setenv g16root / location source $g16root/g16/bsd/g16.login setenv GAUSS_SCRDIR / path.profile files: export g16root=/ location. Download game pro evolution soccer. $g16root/g16/bsd/g16.profile export GAUSS_SCRDIR=/ location Once things are set up correctly, the g16 command is used to execute Gaussian 16. Environment Variables Reference The environment variables created by g16.login and g16.profile include: • GAUSS_EXEDIR: Specifies the directories in which the Gaussian images are stored. By default it includes the main directory $g16root/g16 and several alternate directories. • GAUSS_ARCHDIR: Specifies the directory in which the main site-wide archive file is kept, and into which temporary archive files should be placed if the main archive is unavailable.

It defaults to $g16root/g16/arch if unset. • G16BASIS: The directory which contains files specifying the standard Gaussian internally stored basis sets, as well as some additional basis sets in the form of general basis set input.