Re: [AMBER] Display CPU time in mdout file

From: Ross Walker <>
Date: Fri, 28 Jan 2011 07:27:30 -0800

Hi Hirdesh,

> I know it may not be so relevant to scientific discussion but I just
> 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

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Fri Jan 28 2011 - 07:30:02 PST
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