Monday, June 22, 2009

Magic command to prevent Wien2k crash

Sometimes Wien2k program crashes without any reasons and *.error files are empty or just contain the line like "Error in LAPW0". Then run the following command before running Wien2k:

ulimit -s unlimited

It sets the maximum stacks size for the current user unlimited. For clusters and supercomputers you need to add this line to the script which runs Wien2k.