From owner-chemistry@ccl.net Thu Mar  7 10:09:01 2024
From: "Jannik Ockenfels jockenfe++rptu.de" <owner-chemistry,server.ccl.net>
To: CCL
Subject: CCL: GAMESS CIS Bad Termination
Message-Id: <-55108-240307094542-6157-UxPxIym2qY4q1JJ2ImJ25Q,server.ccl.net>
X-Original-From: "Jannik  Ockenfels" <jockenfe_+_rptu.de>
Date: Thu, 7 Mar 2024 09:45:40 -0500


Sent to CCL by: "Jannik  Ockenfels" [jockenfe[a]rptu.de]
Hello everybody,
I am trying to calculate excited states of a molecule made up of conjugated 
carbon chains in GAMESS using EOM-CCSD. It consists of 56 carbon atoms and 58 
hydrogen atoms. The CCSD part works fine, but it says "BAD TERMINATION OF ONE OF 
YOUR APPLICATION PROCESSES" in the output file right after the CIS problem size, 
which is 612. The GAMESS version is 30 JUN 2023.

I have definitely had larger CIS problem sizes in the past, so I don't think the 
size is the issue. I have encountered this problem before and 'fixed' it by 
playing around with the active window, but couldn't find a pattern as to when it 
works.

Does anybody know what is causing the termination and how I can fix it?

Thanks in advance,
Jannik Ockenfels