From owner-chemistry@ccl.net Sun Feb 15 20:47:00 2009
From: "xunlei ding dingxunlei|*|gmail.com" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: G- Stop at L103
Message-Id: <-38622-090215194523-3196-0vQ6yv7Ss0c1s1uTl02vTQ~!~server.ccl.net>
X-Original-From: xunlei ding <dingxunlei.:.gmail.com>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1
Date: Mon, 16 Feb 2009 08:45:09 +0800
MIME-Version: 1.0


Sent to CCL by: xunlei ding [dingxunlei++gmail.com]
Dear Rajagopalan,

Thank you! Yes, it works if I restart the job.

But in a bash script, I did a series for different spin multiplicities.
It should do with spin multiplicity as 1, 3, 5, 7, 9 ... one by one.
But in some cases it stopped at, saying s=3, and nothing will be done
untill I kill this L103.
So much CPU time is wasted.
I hope it could kill itself automatically if it can't overcome L103.

Best regards,
Ding


2009/2/16 Rajagopalan S. r.subramanian_._ipc.uni-stuttgart.de
<owner-chemistry]~[ccl.net>:
>
> Sent to CCL by: "Rajagopalan S." [r.subramanian() ipc.uni-stuttgart.de]
> Hi,
> take the last geometry and restart again..