Gaussian can utilise more than one CPU on a shared memory system like the compute nodes in Abel. Ĭp hexclethane.log /usit/abel/u1/USP_myhome_USP/ In the following substitute everything user-specific (i.e.
![ssh gaussian software ssh gaussian software](https://researchcomputing.princeton.edu/sites/g/files/toruqf311/files/styles/freeform_750w/public/people/jeroen_tromp.png)
The work area $GAUSS_SCRDIR is automatically set by loading the module (see above). It can, however, use several cores on a single node. That means, Gaussian may only use a single node. Note: Only the shared memory version is installed.
![ssh gaussian software ssh gaussian software](https://researchcomputing.princeton.edu/sites/g/files/toruqf311/files/styles/freeform_750w/public/education.jpg)
The gaussian module performs the actions of that script, and the profile script no longer functions. Note: Do not source the g0X.profile script. To see which versions of Gaussian are available. Note: The subsequent steps do NOT work without sourcing the jobsetup script. In a job (interactive or batch) set the general job environment first
![ssh gaussian software ssh gaussian software](http://williamkennerly.com/blog/wp-content/uploads/2017/01/IMG_3633-768x576.jpg)
#Ssh gaussian software series
Gaussian 09 is the latest in the Gaussian series of electronic structure programs. This article introduces several of its new and enhanced features. It can be used to study molecules and reactions under a wide range of conditions, including both stable species and compounds which are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures. Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types.