Wien2k
This page is indent to give some instructions, how to run the wien2k package in our Cluster.
Access
The official build is installed in the user account "wien2k". Access to this account is restricted to users who are member of the unix group "wien2k". The latest version is always linked to the directory /home/wien2k/wien2k. Your setup in your .bashrc could look lile:
export WIENROOT="/home/wien2k/wien2k" export PATH="$WIENROOT:$PATH" export SCRATCH="/tmp"
Parallel runs in the Grid Engine
To access the computer nodes it is necessary that you use the batch system. Please make sure that the sun grid engine is configured correctly for your account.