From owner-chemistry@ccl.net Sun Nov 20 23:29:00 2016 From: "Alan Wilfred Humason ahumason*_*smu.edu" To: CCL Subject: CCL: Gaussian 09 Frequency Jobs Message-Id: <-52501-161120225549-23582-l7EkcGOGDesiXY3R07zEjw_._server.ccl.net> X-Original-From: "Alan Wilfred Humason" Date: Sun, 20 Nov 2016 22:55:48 -0500 Sent to CCL by: "Alan Wilfred Humason" [ahumason]~[smu.edu] I am running a large molecule with a large basis set. (It's an expensive calculation, but I've been given the resources.) After optimization, the program runs a set of iterations, giving the message: 3 vectors produced by pass897 Test12= 6.42D-13 1.00D-09 XBig12= 5.97D-13 1.11D-08. The calculation gets 'stuck' at 3 vectors, even after 3000 iterations, and several weeks on 24 cores. 1) What do the vectors represent? 2) What to the passes represent? 3) How can I get my job to finish? Alan Humason ahumason[*]smu.edu