[gmx-users] Gromacs 5.1 I/O strategy

[Mark Abraham]

Hi,

What I/O happens depends very much on how you call mdrun and what your mdp
options were. So nobody can be definitive yet. But typically only one rank
per simulation writes any I/O, after reducing the data to that rank
internally.

Mark

On Tue, 31 May 2016 09:45 Andreas Mecklenfeld <
a.mecklenfeld at tu-braunschweig.de> wrote:

> Dear Gromacs-users,
>
> I'm currently working on a project  proposal to acquire computational
> time. For this, I have to  specify the I/O strategy used in Gromacs 5.1.
> Unfortunately, I found very little information about this topic. By
> analyzing my log-files, it seems that all (12) MPI ranks participate in
> writing the trajectory. Does this apply for the other data as well? Can
> you link me to further material / references?
>
> Thanks & regards,
> Andreas
>
> --
> M. Sc. Andreas Mecklenfeld
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