From chemistry-request _-at-_)server.ccl.net Mon Apr 29 05:31:06 2002
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Date: Mon, 29 Apr 2002 09:27:18 +0000 (GMT)
From: Szilveszter Juhos <szilva-!at!-ribotargets.com>
To: Hunter Hunts <davsmith;at;hsc.usf.edu>
cc: ccl <chemistry-!at!-ccl.net>
Subject: Re: CCL:Running autodock jobs in succesion
In-Reply-To: <3CCA2848.3060000- at -hsc.usf.edu>
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On Sat, 27 Apr 2002, Hunter Hunts wrote:

> Can anyone tell me how to set up serveral docking jobs at one time and 
> then allow the computer to exicute them one after another? 

You can use condor even on a single CPU machine (
http://www.cs.wisc.edu/condor/ )but it is an overkill in this case. If you
do some shell scripting as mentioned do not forget to write "wait" after
the jobs. Otherwise all the jobs will be launched at once and likely that
is not what you want. Also using "screen" and "tee" can be more convenient
than nohup. Launch a screen like:

$ screen -S autodock
[than launch your jobs here]

$ autodockjobs.sh ..... |tee output
[press Ctrl-A D to detach screen ]
logout

than when you are logging in next morning or from a remote machine or from 
dialup etc

$ screen -Ax autodock

will give you back the screen as you left it. 

Hope it helps:
Szilva