[gmx-users] How does gromacs checkpoint works

[Mark Abraham]

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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