Software at OSC |
Gaussian 09IntroductionGaussian 09 is a connected system of programs for performing semiempirical, ab initio, and density functional molecular orbital (MO) calculations. VersionVersion 09 A01 is currently available at OSC. AvailabilityGaussian 09 is on the Glenn Cluster. UsageAll users must sign an authorization agreement to use Gaussian. Forms are available at Academic Agreement Forms. To execute: module load g09 Note that the module command sets some environment variables including PATH which puts the g09 command set in the users path. If TMPDIR is set, the variable GAUSS_SCRDIR will be set to $TMPDIR. There are two ways to invoke the executable. In the first form, the program reads from standard input and writes to standard output, and these have been redirected. In the second form, the program reads input from job_name.com and writes its output to job_name.log. DocumentationGaussian documentation may be viewed at http://www.gaussian.com/g_tech/g_ur/g09help.htm. NotesOSC does not have the distributed parallel version (LINDA) of Gaussian. Parallelism of Gaussian at OSC is only via shared memory. Consequently, do Not request more than one node for Gaussian jobs on OSC's Clusters. For information on converting old checkpoint files to this version of Gaussian, please see the FAQ. CitationsSee http://www.gaussian.com/g_tech/g_ur/m_citation.htm for citation information. |
