Install and Run Q-Chem Win32 version
(updated 03/24/2007)
1. Unpack the package using winrar or similar utilities.
2. Set QC environment variable to the qchem directory,
which is the top directory of the unpacked qchem archive. Under DOS do
set QC=<full path to qc>
3. Add %QC% into environment variable PATH, under DOS do
set PATH=%QC%;%PATH%
4. Go to %QC% directory, edit the first section of qc.bat file,
specify QC, QCAUX and QCSCRATCH variables
4. You need a license to run Q-Chem. To obtain Q-Chem license,
a) run %QC%\exe\qcprerun
b) send the output of qcprerun along with your order number
to license@q-chem.com. Please include your registration
information (Name, Institute, Group, Address, Phone, Email)
in the email if you don't have an order number.
c) You will receive a license file from Q-Chem via email.
Use wordpad (notepad does not work correctly) to open it and
make sure there is no empty line at the end of the file.
Use 'save as' to save the file to
%QC%\qcaux\license\qchem.license.dat.
4. run qchem jobs using one of the following commands
a) qc test.in test.out
b) qc test.in > test.out
c) qc -save test.in test.out \path_to\test.sv
Note that you must specify the absolute path to the directory where
you want to save your restart file.
To restart the calculation use the same command
d) qc -save test.in test.out \path_to\test.sv
5. Email support@q-chem.com for problems and questions.
