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Later revisions of Gaussian 03 and the more recent Gaussian 09 claim to have fixed this problem. What version of Gaussian are you using? Is it properly installed? Have you been able to perform Hello, I would like to ask how to change for Second Order Perturbation Theory Analysis of Fock. The installation instructions are in a readme file and it is recommended that you have experience with Linux/UNIX to be able to install it. Penn Chemistry does not own a license for Gaussian for Windows. How can I have GaussView on my Mac look at Gaussian results from the GPC?
If you need to reset your password,. Having a problem logging in? Please visit to clear all LQ-related cookies. Introduction to Linux - A Hands on Guide This guide was created as an overview of the Linux Operating System, geared toward new users as an exploration tour and getting started guide, with exercises at the end of each chapter.
For more advanced trainees it can be a desktop reference, and a collection of the base knowledge needed to proceed with system and network administration. This book contains many real life examples derived from the author's experience as a Linux system and network administrator, trainer and consultant.
They hope these examples will help you to get a better understanding of the Linux system and that you feel encouraged to try out things on your own. To receive this Complete Guide absolutely free. Code: login as: user1 Using keyboard-interactive authentication. Code: # # These commands set up for use of Gaussian 09. They should be source'd # into each Gaussian 09 user's.login file, after setting the following # environment variable: # # g09root - Directory which contains the g09 main directory. Defaults # to users's home directory if not defined before entry. Quote: #./bsd/install install completed successfully So my question is this: do i need to compile anything?
It sounds to me like the package already comes complied, if we have a look inside the g09 folder we have: from what ive read on some of the install documents/web page how to's Gaussian either supplies the source or precompiled binaries. With the latter, i should just need to set the enviroment variables for the g09 dir, the scratch file etc. As per the how to (if im modifying the.profile ) im supposed to modify it to represent: (as above posted) #.profile commands g09root='dir' GAUSSSCRDIR='sdir' export g09root GAUSSSCRDIR.
$g09root/g09/bsd/g09.profile but this is what i see when i open.profile. Code: # # These commands set up for use of Gaussian 09. They should be source'd # into each Gaussian 09 user's.login file, after setting the following # environment variable: # # g09root - Directory which contains the g09 main directory. Defaults # to users's home directory if not defined before entry. I think when they are talking about.profile, they mean the one in the $HOME directory: /.profile.
But I'm not sure which one you're talking about? What you posted looks like the same as the g09.profile contents you posted earlier. Yes, sorry the file is called 'g09.profile' and they also reference 'g09.login'.
The one i am talking about is g09.profile this is in the /g09 directory. The contents of g09.profile is what i posted, you are correct. Im just unsure how to modify g09.profile to represent what they suggest. I.e where do i put '/root/Desktop/DATA1/Gaussian09DIntel/tar/g09' in the g09.profile file? Yes, sorry the file is called 'g09.profile' and they also reference 'g09.login'. The one i am talking about is g09.profile this is in the /g09 directory.
The contents of g09.profile is what i posted, you are correct. Im just unsure how to modify g09.profile to represent what they suggest.
I.e where do i put '/root/Desktop/DATA1/Gaussian09DIntel/tar/g09' in the g09.profile file? Don't modify the g09.profile, instead add that stuff to your /.profile (if it doesn't exist, then create it). Just ignore g09.login, because that is for csh. You did not download the version ending with w by any chance? Does all versions have exe files you must use?
Exe files in a linux distro seems a bit odd. But possible. Are you sure you set the executable bit? I have version M6L-103X and E64-930X.
Both of which contain multiple.exe's, from a document i have the format for the 'install disk' as Mxx-10yz.tgz as far as i can tell the 'xx' is platform, Power PC, 32Mac or 64 Mac, y is version number, and z corresponds to: X stands for G09 binaries, an N would stand for G09 binaries + linda TCP, and an U for G09 utilities. I dont have any documentation that refers to a 'w'.
What would a 'w' mean? The version im using in all of this thread is M6L-103X.
Overview: Gaussian 09W Gaussian 09W provides state-of-the-art capabilities for electronic structure modeling. All versions of Gaussian 09 contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and patience.
GaussView Version 5.0.9 GaussView is the most advanced and powerful graphical interface available for Gaussian. With GaussView, you can import or build the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and retrieve and view the results, all without ever leaving the application. GaussView 5 includes many new features designed to make working with large systems of chemical interest convenient and straightforward. It also provides full support for all the new modeling methods and features in Gaussian 09W. Licensing restrictions: Licensee may only use this software on computers owned, operated by, and under the supervision of Licensee on the following WVU campuses:. Downtown Campus, Morgantown, WV. Evansdale Campus, Morgantown, WV.
Health Sciences Campus, Morgantown, WV Licensee may only use this Software for educational and academic research purposes and not for commercial purposes, including product development, consulting or research in collaboration with commercial entities. If the Software is used to obtain a result, and that result is published in the public literature, then Licensee agrees to acknowledge its use of the Software in an appropriate citation. Eligibility: Faculty can request this software for free to install on WVU-owned computers. Staff (Academic Researchers) can request this software for free to install on WVU-owned computers. Students can use the software if it is already installed on a WVU-owned computer but cannot request the install file. How to order: Faculty and Staff can to request the Gaussian software at no cost.
OS Compatibility: Gaussian 09.
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