IT Information: Department of Physical Chemistry

This page contains a collection of links and some useful information specific to IT within the department of Physical Chemistry

Poster Printing
Studix Cluster
OS Updates / Viruses

1. Poster printing

Posters can be printed in A0 size only. You can print a poster by sending an e-mail to me with the poster attached in pdf format. You should include the preferred method of payment (internal Kostenstelle or cash). You are responsible for making sure that the size of the pdf document is compatible with scaling to A0, and that any images included in the document are of sufficiently high resolution. Once the poster has been printed you will receive an e-mail from the URZ, meaning you can go and collect it from the URZ reception. For cash orders payment is on delivery. More details available here (use the links on the left-hand side of the page)

2. Printers

There are a number of communal printers available to members of the physical chemistry department. These are:
Ground floor, student cluster: HPLJ P4015x (black and white)
1st floor, corridor: HPLJ P4250dn (black and white)
HP CLJ CP4525 (color)
2nd floor, corridor: HP LJ P4250dtn131.152.105.123(black and white)
Oki C5900 (color)
Third floor, corridor: HPLJ P4015 (black and white)
Fourth floor, corridor: HPLJ P4250dtn (black and white)

A4 paper is available from the old library near the photocopier. Please contact me if the toner cartridge needs replacing or if you encounter any other problems.

3. Ordering software

The university has a common portal for ordering software. For some software a campus license exists that means it can be downloaded for free. Other software can be ordered at a discount rate. For more details see this link. While some special offers for staff and students require that the buyer order themselves directly, most software needs to be ordered via your local IT administrator, so please contact me directly.

4. Ordering hardware

Similarly to software, the university has negotiated favorable rates and support deals with different hardware suppliers. Of particular interest are accounts with Dell (for computers), HP (for printers) and Apple (for Mac hardware and software). Devices ordered from these companies may come with additional support from the URZ. To place an order please contact me.
In addition to this, certain hardware offers are available to staff and students, with more details available here.

5. Letterheads

Letterheads should be used for all official correspondence from the university. They can be downloaded from this web page (university login necessary). From the main welcome page, the chemistry department letterheads can be reached by logging into 'Switch' and then clicking on the link 'Phil.-Nat. Fakultaet', and scrolling down to reach 'Departement Chemie'. Templates for Word (Windows and Mac), OpenOffice and Mac Pages are available. There is also a generic template at the bottom of the page for InDesign CS5 and LaTeX users. Instructions for use can be downloaded from the same page (German only), or generic instructions can be found in English on the web. For example:

Microsoft Word (for Windows): see here

OpenOffice: see here

Two sample documents demonstrating use of the letterheads (one English, one German) are available here (English) and here (German).

6. Wireless access points

A number of wireless access points are active in the physical chemistry building, but they do not currently provide coverage for every room. When you connect via wireless, you will be directed to the university's VPN login page. Only users with a university E-Mail account will have access via VPN to the university network. You should either have a VPN client installed and configured on your computer in order to connect, or you should follow the directions on the VPN login page in order to complete this process before you connect. Instructions for downloading and installing a VPN client are available from the URZ website.

7. VPN

Access to the university network from outside the university is only possible using VPN. In addition, connecting to the network on-campus using a wireless access point or certain network sockets in public areas such as lecture halls requires VPN to be installed on your computer. Access to the university VPN server is granted to staff and students with a university e-mail address. You will need to install and configure a VPN client on your computer, which can be downloaded from the URZ website. Full instructions for for different operating systems are given on the website.

8. Studix Linux-Cluster

The 'Studix' cluster is located in room 2.11 of the Physical Chemistry building. It is a Linux cluster currently comprising 26 nodes, and is used primarily for teaching and research as well as by students who need access to a workstation on the university network for report-writing or for access to resources where a university ip address is required. Scientific software such as Gaussian09, NAMD and CHARMM is installed for chemical modeling applications. Tools such as xmgrace, gview and molden are available to assist in analyzing data from calculations. The Openoffice report-writing package is also installed. Room 2.11 is reserved for certain classes during semester time (dates are usually pinned on the noticeboard outside the room), with open access during university office hours at other times. For guidelines submitting quantum chemical jobs on studix please see here

The cluster uses a central authentication server, so password changes should be made on the head node 'studix0' only. Changes may then take a short while to propagate to the remaining nodes. The Sun Grid Engine queueing system is installed, which means that calculations should not be run directly on the nodes. Please instead submit jobs to the SGE queue using an automated submission script such as 'gsub' (Gaussian09 jobs only), or by writing your own SGE submission script and submitting using 'qsub'. Jobs can then be monitored using the standard 'qstat' command, with 'qdel' to delete a job after submission (again, see here).

If you need an account on Studix, please fill out this form and bring it to me in room 3.06.

9. OS updates and viruses

Windows and Mac workstations are currently managed locally, so you should make sure that any machine connected to the university network is configured to download and install updates automatically, that the firewall is running and correctly configured, and that an antivirus program is installed and set to automatically update at regular intervals. The university has a campus license for the Symantec Endpoint antivirus program, so please contact me if you need a copy.