Subject: GUGA in MOLCAS 4.0--solution

From: Keith Kuwata <[email-masked]>
Date: Mon, 2 Aug 1999 11:13:06 -0700 (PDT)

Hi folks,

This was my problem.  While attempting to run GUGA, my jobs would
crash with the error 

 NUMBER OF VERTICES EXCEEDS    299

I was wondering, what does this mean?

This error message was explained by Fernando Vila:

From: Fernando Vila <[email-masked]>

This means you have reached the internal limit for the number of vertices
in the GUGA diagram. It is an internal hardwired limit (or at least it
used to be in earlier versions). One way to fix it is to reduce the number
of references, for example, by eliminating the last reference you can
reduce the number of active orbitals by 2 (the first and last turn into
inactive and virtual).

Another way is to recompile the code with a larger number of vertices
allowed. I'm not sure is this is possible in the version you are working
with.

Thanks also to

Eric V. Patterson <[email-masked]>

and

Mike Falcetta <[email-masked]>

for their suggestions.

Keith Kuwata