GAUSSIAN 03
Gaussian is a commercial software product and must be purchased from Gaussian, Inc. A CD-ROM with the Gaussian 03 Windows binary will be mailed to the customer.
Insert CD. Setup program will automatically run. If it does not, double-click "setup.exe" on the CD.
Specify user information and directory locations
Provide serial number
Accept the destination location of C:\G03W
Accept default suggestions
Download the runWg03.bak (or runWg98.bak )from here.
Rename runWg03.bak in runWg03.bat. Put runWg03.bat in the Gabedit directory. After this you can use this file for run Gaussian from gabedit.
MOPAC
Download the distribution appropriate for all windows version from http://www.openmopac.net
Create the MOPAC directory, which must be C:\Program Files\MOPAC
Copy all the files ("Installation instructions.txt", and "MOPAC*.exe") from the downloaded distribution into this directory
After this, you can run MOPAC from gabedit, using the default options of Gabedit.
PC-Gamess
Request a copy of PC-Gamess
Visit the GAMESS homepage, click on "How to get GAMESS", click on "obtaining GAMESS", and agree to the terms of the License Agreement. On the GAMESS Registration System page request a copy of the pre-compiled binary for "PC GAMESS version 7.x for x86 PC (Windows, Linux, NT, OS/2, DOS)"
Double-click the pcg701.exe file, and follow the instructions to request a password from Dr. Alex A. Granovsky by emailing the requested information to gran@classic.chem.msu.su.
After receiving the password from Dr. Granovsky, double-click the pcg701.exe file and use the password to extract all the files into C:\PCGamess
After this you can run PC-Gamess from gabedit, using the default options of Gabedit.
PC-Gamess/Firefly
Request a copy of PC-Gamess
Visit the "Downloads" section of the PC GAMESS Homepage at MSU at http://classic.chem.msu.su and agree to the terms of the License Agreement. Download the pre-compiled binary corresponding to you OS
After decompressing zip archive, you will get several files, including the "readme.txt" file which contains further instructions. In brief, you must read and agree with the terms of the PC GAMESS/Firefly License Agreement and send some basic information on you and your computer system to request a password from Dr. Alex A. Granovsky by emailing the requested information to gran@classic.chem.msu.su. Upon successful registration, you will get the key which can be used to extract PC GAMESS/Firefly binaries from the rar archive into C:\PCGamess.
After this you can run PC-Gamess from gabedit, using the default options of Gabedit.
WinGamess
Request a copy of WinGAMESS
Visit the GAMESS homepage, click on "How to get GAMESS", click on "obtaining GAMESS", and agree to the terms of the License Agreement. On the GAMESS Registration System page request a copy of the pre-compiled binary for "GAMESS (Contains all standard GAMESS options) version April 11, 2008 R1 for Microsoft Windows" (Or later)
From the email message that you receive, use the username "source" and emailed password to download the WinGAMESS binary executable
Double-click WinGAMESS.current.msi and install to C:\WinGAMESS by accepting suggested defaults
After this you can run WinGamess from gabedit, using the default options of Gabedit
Under Linux
GAUSSIAN 03
Gaussian is a commercial software product and must be purchased from Gaussian, Inc. A CD-ROM with the Gaussian 03 Windows binary will be mailed to the customer.
Copy (under root) all *.taz file from your CD-ROM in /usr/local directory
Extract files :
# cd /usr/local
# tar -zxvf *.taz
Setup gaussian group and add authorized users to this group (under root) :
# cd /etc
# cp -p group groupOld
# cp -p gshadow gshadowOld
# groupadd -r gauss03 "-> creation of gauss03 group"
# usermod -a -G gauss03 firstuser " ->add the 'firstuser' user to the gauss03 group"
# usermod -a -G gauss03 seconduser " ->add the 'seconduser' user to the gauss03 group"
by "usermod -a -G gauss03 ...." add all authorized users to this group
Change permissions for g03 directory
# cd /usr/local
# chown -R root:gauss03 g03
# chmod -R o-rwx g03 "-> only the users of the gauss03 group are authorized to read/run g03"
# cd g03
# echo 'export g03root=/usr/local' >> g03.shrc
# echo 'export GAUSS_SCRDIR=$HOME/tmp' >> g03.shrc
# echo '. $g03root/g03/bsd/g03.profile' >> g03.shrc
# echo 'setenv g03root /usr/local' >> g03.cshrc
# echo 'setenv GAUSS_SCRDIR=$HOME/tmp' >> g03.cshrc
# echo 'source $g03root/g03/bsd/g03.login' >> g03.cshrc
Each user should execute the following orders :
echo '. /usr/local/g03/g03.shrc' >> .bashrc
echo 'source /usr/local/g03/g03.cshrc' >> .cshrc
exit
MOPAC
Download the distribution appropriate for all windows versions(Mopac_for_all_Linux.zip) from
http://www.openmopac.net/Download_MOPAC_Executable_Step2.html
Install it. Add MOPAC directory at your PATH
After this you can run MOPAC from gabedit, using the default options of Gabedit
PC-Gamess
Request a copy of PC-Gamess
Visit the GAMESS homepage, click on "How to get GAMESS", click on "obtaining GAMESS", and agree to the terms of the License Agreement. On the GAMESS Registration System page request a copy of the pre-compiled binary for "PC GAMESS version 7.x for x86 PC (Windows, Linux, NT, OS/2, DOS)"
Double-click the pcg701 file, and follow the instructions to request a password from Dr. Alex A. Granovsky by emailing the requested information to gran@classic.chem.msu.su.
After receiving the password from Dr. Granovsky, double-click the pcg701 file and use the password to extract all the files into $HOME/PCGamess
Execute the following orders :
echo 'export PATH $HOME/PCGamess:$PATH' >> .bashrc
echo 'set path=($HOME/PCGamess $path)' >> .cshrc
exit
After this you can run PC-Gamess from gabedit, using the default options of Gabedit.
Gamess-US
Request a copy of GAMESS-US
Visit the GAMESS homepage, click on "How to get GAMESS", click on "obtaining GAMESS", and agree to the terms of the License Agreement. On the GAMESS Registration System page request a copy of thethe source code distribution for "GAMESS version April 11, 2008 R1 for 32 bit (x86 compatible) under Linux" (Or later)
Obtain the pre-compiled BINARY file, (linux.current.targz), using the username "source" and the password in the email message that you received
Execute the following orders (under root)
# cd /usr/local
# tar xzvf [YourDownloadDir]/linux.current.tar.gz
# chown -R root:root gamess
# exit
Each user should execute the following orders :
echo 'export PATH /usr/local/gamess:$PATH' >> .bashrc
echo 'set path=(/usr/local/gamess $path)' >> .cshrc
exit
After this you can run Gamess-US from gabedit, using the default options of Gabedit