From: Mauricio Carrillo Tripp (trippm_at_gmail.com)
Date: Fri Jul 15 2005 - 17:33:48 CDT
ok, I don't quite understand why would you want to do that, but
you'll be able to do it using the shell script I'm sending you.
Just make it executable (chmod 755 run-namd.csh) and edit
the line where your config file should be, then just run it with
and at the end you'll have 25 different log files!
On 7/15/05, Shahid Qamar <qamar13_at_hotmail.com> wrote:
> Thanks for your reply.
> In fact I want to run MD of a system 25 times under same conditions.
> For example I have a config file xxx.config.
> I want to run this file 25 times. Each time I need a logfile which tells
> the information in it.
> I will not change any thing in the config file. Basically it is a same
> runing 25 times. It will give me the statatistics about some information
> which I want to get out of it.
> Thanks for your help
> From: Mauricio Carrillo Tripp <trippm_at_gmail.com>
> Reply-To: Mauricio Carrillo Tripp <trippm_at_gmail.com>
> To: Shahid Qamar <qamar13_at_hotmail.com>
> CC: namd-l_at_ks.uiuc.edu
> Subject: Re: namd-l: Runnig same config file many times
> Date: Fri, 15 Jul 2005 16:45:05 -0500
> MIME-Version: 1.0
> Received: from wproxy.gmail.com <http://wproxy.gmail.com> ([188.8.131.52<http://184.108.40.206>])
> by mc3-f29.hotmail.com <http://mc3-f29.hotmail.com>
> with Microsoft SMTPSVC(6.0.3790.211); Fri, 15 Jul 2005 14:45:06 -0700
> Received: by wproxy.gmail.com <http://wproxy.gmail.com> with SMTP id
> 69so695934wri for
> <qamar13_at_hotmail.com>; Fri, 15 Jul 2005 14:45:05 -0700 (PDT)
> Received: by 10.54.48.1 <http://10.54.48.1> with SMTP id v1mr1249753wrv;
> Fri, 15 Jul 2005
> 14:45:05 -0700 (PDT)
> Received: by 10.54.63.16 <http://10.54.63.16> with HTTP; Fri, 15 Jul 2005
> 14:45:05 -0700 (PDT)
> X-Message-Info: JGTYoYF78jEHjJx36Oi8+Z3TmmkSEdPtfpLB7P/ybN8=
> DomainKey-Signature: a=rsa-sha1; q=dns; c=nofws; s=beta; d=gmail.com<http://gmail.com>
> References: <BAY101-F3545CA55A2B567F57CE439A3D00_at_phx.gbl>
> Return-Path: trippm_at_gmail.com
> X-OriginalArrivalTime: 15 Jul 2005 21:45:06.0104 (UTC)
> what exactly do you mean by running one simulation 25 times?
> do you mean running the same system from the same starting point but
> different parameters?
> or, same system but running one simulation after the other, each one
> starting from the
> end of the previous one?
> either way you can achieve it with a shell script directing output to a
> file, but I need to know more
> about what you want to do to help you more...
> On 7/15/05, Shahid Qamar <qamar13_at_hotmail.com> wrote:
> > Hi,
> > I am trying to run a one simulation 25 times. I dont need anyout put
> > but log file.
> > I know I can run in que but is there anyway i can run in a loop and each
> > time it creates a different log file so that i can get the information
> > from
> > log file. I dont need any other output files.
> > Any TCl script or any idea how i can run one simulation many times to
> > the statistics?
> > Thanks
> > Shahid
> Mauricio Carrillo Tripp, PhD
> Department of Chemistry
> Wabash College
-- Mauricio Carrillo Tripp, PhD Department of Chemistry Wabash College trippm_at_wabash.edu http://chem.acad.wabash.edu/~trippm
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:57 CST