Q-Chem Workshop Getting Q
Transcription
Q-Chem Workshop Getting Q
Marek Freindorf Q-Chem Workshop Getting Q-Chem on Windows Pittsburgh March 2009 Getting Q-Chem 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 Page 1 Getting Q-Chem on Windows Use the WinRAR program to extract the qchem files http://www.rarlab.com/ Page 2 Getting Q-Chem 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 Page 3 Getting Q-Chem on Windows Q-Chem will be set up from the "Dos" computer window On the main computer window, go to "Start" and "Run" Page 4 Getting Q-Chem on Windows In the "Open" dialog window type "cmd", and click OK Page 5 Getting Q-Chem 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' Page 6 Getting Q-Chem on Windows Go to the "exe" subdirectory of the QChem main directory, by typing: "cd exe" Page 7 Getting Q-Chem 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: license@q-chem.com Please specify in the e-mail that you are a workshop participant Page 8 Getting Q-Chem 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" Page 9