Please change the password using the command 'kpasswd' when
you log in the first time.
Your account is good on the following machines in NS2
room 2102: model3 through model8.
You can log in remotely using ssh to:
modelx.ps.uci.edu (x = 3-8).
If you want to get an orientation to the Facility or any of
the software, please contact the Director at 4-4508 or e-mail to model@uci.edu .
See the UNIX command line cheat sheet.
General Admonitions
-
One key is issued to each group that has an account. The
Facility door is never to be unlocked or propped open
under any circumstances.
-
Manuals on the bookshelves of the Facility are not to
leave the room unless they are checked out.
-
Please bring no food or drink into the Facility. We don't
want sticky coke or coffee spills on the tables, floors,
or keyboards.
-
The last user to leave the room is to verify that the door
is locked before leaving -- day or night. Also, please leave
the lights on (they are on a motion-sensing switch).
-
Please do not share your personal account with someone
else.
Access
Here is a description of Modeling Facility assets and guidelines.
An account gives you access to the following
- **Access to at least one Linux workstation for interactive jobs controlled
from the desktop itself or from an X-terminal or X-terminal emulator
on the UCINet.**
- **Access to the latest versions of software maintained by the Facility.**
Packages and commands to invoke them are listed below:
Mathematica:
> mathematica (for Xwindows version)
Help: manuals on shelf in rm. 2102; > man mathematica
Macromodel(molecular mechanics, etc.):
> macromodel
Help: Tutorial and manuals in rm 2102.
Right mouse button gives online help. Short course available.
Spartan(molecular orbital package):
>spartan
Manuals and tutorial on shelf in rm. 2102.
Gaussian03
>nice +10 g03 inputfile (or submit through Spartan or GaussView) &
Help: Manuals on shelf in rm. 517.
Cambridge Structure Database (CSD)
>cq -j filename
or
>mercury
- **Access to up-to-date manuals for the software maintained by the
Facility** and information concerning where these manuals can be purchased
should you wish copies for your own group. Manuals can be checked out
for 2 hours. Some duplicate manuals are available-- these can be checked
out overnight. Removal of manuals from the Facility without checking
out may result in cancellation of the user's account.
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