Q-Chem Workshop Q-Chem Installation on Windows

Marek
Freindorf
Q-Chem Workshop
Q-Chem Installation
on Windows
Pittsburgh
March 2009
Q-Chem Installation on Windows
Go to the Q-Chem download website with the 3.2 version:
http://www.q-chem.com/download_3201.htm
and select Q-Chem Windows XP Serial version
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Q-Chem Installation on Windows
Use the WinRAR program
to extract the qchem files
http://www.rarlab.com/
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Q-Chem Installation on Windows
Select "Destination path", for
example "C:\QChem"
After extracting the files, the "C:\QChem\qc3201" path
will be the Q-Chem main directory
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Q-Chem Installation on Windows
Q-Chem will be set up from the
"Dos" computer window
On the main computer window,
go to "Start" and "Run"
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Q-Chem Installation on Windows
In the "Open" dialog window
type "cmd", and click OK
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Q-Chem Installation on Windows
In the "Dos" window, go to the main Q-Chem
directory with the qchem files, by typing for
example: 'cd C:\QChem\qc3201'
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Q-Chem Installation on Windows
Go to the "exe" subdirectory of the QChem main directory, by typing: "cd exe"
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Q-Chem Installation on Windows
Run the "qcprerun" program
by typing: "qcprerun"
The system will print in the "Dos"
window "hostname" and "sid"
Send "hostname" and "sid" to: [email protected]
Please specify in the e-mail that you are a workshop
participant
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Q-Chem Installation on Windows
When you receive the license file by e-mail,
rename the file into "license.qchem.dat",
and copy the license file into the qchem
license folder, in the main Q-Chem
directory, in subdirectory "qcaux", for
example:
"C:\QChem\qc3201\qcaux\license"
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Q-Chem Installation on Windows
Using the MS "Notepad"
program to do modifications
of the qchem files
Select "All Files" to
see all files in the
main qchem
directory
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Q-Chem Installation on Windows
Select the "qcenv_s.bat" file
and open it
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Q-Chem Installation on Windows
Type here the main Q-Chem directory,
for example: "C:\QChem\qc3201"
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Q-Chem Installation on Windows
Type here the directory which will
have Q-Chem "scratch" files, for
example "C:\Temp"
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Q-Chem Installation on Windows
Save the file
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