[gmx-users] tpr file portability
mark.j.abraham at gmail.com
Mon May 25 15:41:32 CEST 2015
Indeed, by portability I was referring to cross-platform behaviour. Version
compatibility is indeed a tricky business - old code cannot in general
implement new functionality, and so for many years mdrun has refused to run
a .tpr more recent than itself. We do try to keep backward compatibility -
newer mdrun can read old inputs, and run them correctly if the feature is
still implemented (and fail with a useful error if it isn't possible, and
issue warnings if we now think that setup is a bad idea, etc.)
So even if you're not planning to run simulations on the new versions of
the software, trying out the new mdrun on your old .tpr is a mildly useful
check that you're not using a setup that others now think is worth issuing
a warning for...
On Mon, May 25, 2015 at 2:42 PM Victor Rosas Garcia <rosas.victor at gmail.com>
> That is not "portability" but "forward compatibility". Not easy to do.
> 2015-05-25 7:25 GMT-05:00 Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru>:
> > Hi!
> > Mark Abraham писал 21-05-2015 12:44:
> >> Hi,
> >> There are no known issues with .tpr file portability. By design there
> >> should be none.
> > Except running file generated with newer version in older version of
> > GROMACS.
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