AMBER Archive (2006)

Subject: Re: AMBER: kill job command?

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Thu Jun 22 2006 - 08:13:04 CDT

What do you mean "safely"? Do you worry about maybe you are happen to kill
a job being dumping outputs? If this is the case, I think you can copy all
the outputs to a seperated directory to check if those files are not
corrupted. Then, when every files are OK, use qdel, bkill, kill or any
other commands you usually use to kill the job.

Regards!

Liu

On Thu, 22 Jun 2006 04:47:51 -0300, a a <patd_2_at_hotmail.com> wrote:

> Dear Sir/Madam,
>
> Could you mind to teach me how to abort a calculation safely once I
> sumbitted a mininization or MD calculations? What is the command line
> should be used?
>
> Best regards,
>
> aa
>
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-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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