Re: [AMBER] Display CPU time in mdout file

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Fri, 28 Jan 2011 21:39:14 +0530

Alright. I got it. Actually I just wanted to have a look on the time
duration it takes to complete any job and how time varies for steps from
starting to end.

On Fri, Jan 28, 2011 at 8:57 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Hirdesh,
>
> > I know it may not be so relevant to scientific discussion but I just
> wanted
> > to know whether we can display the CPU time as well in the mdout file.?
>
> Can you explain exactly what you mean here. If you mean what is currently
> written to mdinfo the reason I did not add this to the mdout file is that
> it
> would overly clutter the output file. If you want this however it is a
> simple matter of editing the code where it writes the timings to mdinfo to
> write to unit 6 (mdout) instead.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
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Received on Fri Jan 28 2011 - 08:30:04 PST
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