fix logic, make it a hard failure


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@12807 bac0169d-1eea-4375-b5f6-f89d2ced9994
clean up an unused variable


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@12808 bac0169d-1eea-4375-b5f6-f89d2ced9994