[gmx-developers] functionality to deprecate in 2018 release

[Mark Abraham]

Hi.

Thanks for the discussion - more on that later.

For now, I have uploaded https://gerrit.gromacs.org/c/7451/ but it is not
likely to make the 2018 release (planned for later today).

Mark

On Mon, Jan 8, 2018 at 4:59 PM Vedran Miletić <vedran at miletic.net> wrote:

> On 01/04/2018 10:15 AM, Mark Abraham wrote:> * mdrun options -nsteps
> -confout -resetstep -resethway (the
> > implementations are bad, and/or duplicate gmx convert-tpr, and/or don't
> > work reliably in combination with tuning features; they are not things
> > normal users should ever use, and should be replaced by something
> > implemented to do benchmarking after tuning stabilizes; notably, we keep
> > -maxh because that's something useful for users)
>
> We use -nsteps in internal scripts, but I we could avoid that if
> conditional stop [1] gets in (did event X happen? no, okay, let's mdrun
> a little more without regenerating everything). I will have time to work
> on conditional stop and related bugs in time for 2019 release and Roland
> linked [2] which is related to -confout. Not sure about the last two
> options, I don't remember ever using them.
>
> [1] https://redmine.gromacs.org/issues/2224
> [2] https://redmine.gromacs.org/issues/2136
>
> --
> Vedran Miletić
> vedran.miletic.net
> --
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