Obtaining Technical Support Gaussian provides technical support for customers who are not on maintenance through email only: help@gaussian.com. Observing the following guidelines will ensure that your request can be answered in as timely a fashion as possible: • Include your name, organization name and address, your email address and a fax number (if available) at the beginning of your message. • Try make your subject line as descriptive as possible. If yours is an installation question, the placing 'INSTALL:' at the beginning of your subject line will make it easier to expedite your question. • Include your version of Gaussian, including the minor rev (e.g., Gaussian 16W Rev A.03). • Include your computer type (vendor and architecture), and operating system name and version. • Include your complete input file.

Jan 30, 2018 - Guidance to use GaussView 5 in an interactive session with Gaussian appears below. Failed To Locate Gaussview Serial Number.

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• Include the first 150 lines of the log file and the final 150 lines preceding the quotation. Sending the complete file is not usually necessary. If you do decide to send a large output file, please compress it and send it as an attachment to the message. Expected Response Times from Gaussian Technical Support Gaussian’s Technical Support staff responds to inquiries as quickly as possible, in the following priority order: • Requests from Maintenance Customers. If you require very rapid response times to your questions, consider going on. Note that Maintenance is now available to Academic customers as well as Commercial customers. • Installation Problems • Non-installation Questions from Academic Users • Non-installation Questions from Commercial Users Many factors influence response time for groups 2 through 4, such as the number of questions we have received recently, whether one of our technical support scientists is traveling (response times always go up during ACS meetings, for example) or ill, and so on.

We appreciate your patience when waiting for a response. In addition, you can be quite certain that repeatedly sending your message within the same 24-48 hour period of time will not have any positive effect on your wait time. Last updated on: 11 January 2017.

Gaussview

Contents • • • • • • • • • • 1 Description GaussView is a very advanced and powerful graphical user interface for. With the aid of GaussView you can • build, save or load molecular structures (very powerful molecule editor) • set up, start, monitor and control Gaussian calculations (create Gaussian input files with all parameters) • load, view and analyze results (e.g. Visualize 3D ISO surfaces of densities and orbitals, plot IR and Raman spectra) • setup, visualize and analyze parameter scans • setup and control QM/MM calculations For more information on features please visit GaussView's web page. When running GaussView on one of the login nodes via X-forwarding please do not start long Gaussian calculations interactively in the foreground. Instead of this you can save the Gaussian command file to disk and submit it as ordinary job.

When running GaussView via VNC, e.g. Via, on a compute node, you may run longer interactive GaussView calculations. Please do not start interactive jobs occupying more cores than have been requested when starting the interactive VNC session.

2 Versions and Availability A list of versions currently available on the bwForCluster Chemistry can be obtained from the: On the command line of a particular bwHPC cluster a list of all available versions is displayed by command $ module avail chem/gaussview 2.1 Parallel computing One can construct/save or start serial as well as parallel jobs with GaussView. To switch from serial to parallel one has to modify entry Shared Processors within Gaussian Calculation Setup window. 3 Usage 3.1 Loading the module and starting GaussView (within VNC session) The best method to use GaussView is to start it within an interactive remote VNC session or a (Linux-)System with X-forwarding (e.g.: ssh -X 'your-id'@FQDN-of-cluster.de).

Details on how to start an interactive VNC session running on a compute node can be found here: Within the X11 session open a terminal window (e.g. Xterm) and execute: $ module load chem/gaussview gaussview & The GaussView module automatically loads the corresponding Gaussian module. See for more infos how to work with the GUI. If you wish to load a specific version you may do so by specifying the version explicitly, e.g. Specify $ module load chem/gaussview/5.0.9 to load version 5.0.9 of GaussView. 3.2 Starting Gaussian jobs interactively via GaussView Within the interactive VNC session running on a compute node you may start Gaussian jobs locally via Submit or Quick Launch.

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