CCL: G- Stop at L103
- From: xunlei ding <dingxunlei.:.gmail.com>
- Subject: CCL: G- Stop at L103
- Date: Mon, 16 Feb 2009 08:45:09 +0800
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..