[gmx-users] How does gromacs checkpoint works

[Husen R]

Hi Mark,


Thank you very much!

Regards,


Husen

On Thu, Jun 23, 2016 at 3:42 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Yes
>
> On Thu, Jun 23, 2016 at 9:54 AM Husen R <hus3nr at gmail.com> wrote:
>
> > Hi,
> >
> > Could you tell me the location of the code ?
> > is this the location of the code ->
> > gromacs-5.1.2/src/gromacs/gmxlib/checkpoint.cpp ?
> >
> > regards,
> >
> > Husen
> >
> > On Thu, Jun 23, 2016 at 2:23 PM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > There's only the code. All you have to do is write down everything that
> > you
> > > were going to need to read to do the next step (unless it's from the
> > .tpr).
> > > Add some checksums of the last pieces of output files, so you can help
> > the
> > > user not mangle their files upon restart. Decide how you're going to
> > > coordinate all your ranks/cores choosing to checkpoint at the same
> time.
> > > Pick a portable file format.
> > >
> > > Mark
> > >
> > > On Thu, Jun 23, 2016 at 4:15 AM Husen R <hus3nr at gmail.com> wrote:
> > >
> > > > Hi all,
> > > >
> > > > For academic purpose, I'm wondering how does checkpoint feature in
> > > Gromacs
> > > > works ?
> > > > is there any resource/tutorial that I can learn ?
> > > >
> > > >
> > > > Thank you in advance,
> > > >
> > > >
> > > > Husen
> > > > --
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