I hope this isn't a FAQ, but I couldn't find the answer anywhere. I am trying to do a calculation that has succeeded before on 2002.3, but now fails on 2002.6. The job stops with:
TOO MANY ACTIVE ORBITALS: 22 THIS VERSION ALLOWS 16 I tracked this to src/mrci/ciinit.f, but I'm not sure on how to increase this. Is it one of those options in the configure process, or do I need to hack a common? If the hack, is it safe to do? Or is it a 32-bit limit (see below)? I am also puzzled why this job did work on .3 and not .6. Could this be due to .6 being on a 32-bit system (dual Xeon with 4 GB of memory) and the .3 on a 64-bit system (Alpha with 768 MB)? If so, are there other parameters I need to watch out for that kill on 32-bit? Thanks for any help, Matt Thompson -- "And isn't sanity really just a one-trick pony, anyway? I mean, all you get is one trick, rational thinking, but when you're good and crazy, ooh ooh ooh, the sky's the limit!" -- The Tick The Matt -- http://ucsub.colorado.edu/~thompsma/
