Installation of LCModel GUI
Installing LCModel in Oscar for personal use is a simple process. Because LCModel has a graphical interface, you will need to connect to Oscar using the Desktop Application via OpenOndeman, this will make sure we are using a node that can find its
- Click on the Desktop Icon and start a Desktop job. If you receive an error the error
you are already running a Desktop session,you will need to click on "My interactive sessions" at the top panel on the page. You will see your existing session. Click Launch to start this session.
- Launch a terminal inside the Desktop interface.
# change directory to your HOME
# download LCModel
wget http://s-provencher.com/pub/LCModel/programs/lcm-64.tar -O lcm-64.tar
# un-tar file
tar xf lcm-64.tar
At this point a GUI window will pop as follows:
LCModel Select PostScript Display or Print Command
Press Continue. A test report should show up as follows:
LC Model Sample PostScript Result
Close the result window. A new success window will follow
Confirmation Screen for a Successful LCModel Test
Finally, you can Exit LCMgui
You may see the following error message: Infiniband hardware address can be incorrect! Please read BUGS section in ifconfig(8). This should have any effect. It is known message in Oscar that will go away in a future update
LCModel is now free. However, you'll need to create an empty license file. You can do so from the terminal as follows.
If you have used LCModel before and have an outdated license file, please remove it
cp -r /gpfs/data/bnc/shared/lcmodel/basis-sets ~/.lcmodel/basis-sets