Re: [AMBER-Developers] Backup file renaming?

From: Daniel Roe <>
Date: Fri, 6 Mar 2009 11:12:03 -0500

Hi all,

On Fri, Mar 6, 2009 at 11:02 AM, Ross Walker <> wrote:
> What you suggest might be a good way to address this assuming it is portable
> across all machine types - although it might be slightly overcomplicated for
> what we need here. I think just a single restart + .bak is suitable to fix
> the majority of crash issues. The key is to do it in a way that doesn't hurt
> performance - I.e. copying the current restart file to .bak then overwriting
> the .rst file is probably safest in terms of recovering from a crash with an
> intact restart file but is not good for performance. Renaming may be very
> fast and in the noise and is probably good enough to avoid corrupting the
> restart file if it crashes while that is happening.

Why not just have two fixed restart files, <restart name>.0 and
<restart name>.1, and alternate between the two.
No copying, no renaming, and you'll know which is more recent since
the time is written out at the top.


Daniel R. Roe, Ph.D.
Research Chemist
National Institute of Standards and Technology
100 Bureau Drive, Stop 8443
Gaithersburg, MD 20899-8443
(301) 975-8741
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Received on Sun Mar 08 2009 - 01:10:03 PST
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