[gmx-users] xtc_write() signals segmentation fault

[Mark Abraham]

Hi,

You need to use a debugger to find out where the segfault happens, in order
to know whether the problem is in the library or your use of it.

Mark

On Mon, 25 Jul 2016 21:39 Murilo Kramar <mkramar at u.rochester.edu> wrote:

> Greetings everyone,
>
> My Gromacs version is 5.1.2 under CentOs 6.5.
>
> I'm currently using xtc_write() inside a template.cpp based program, but in
> the very first frame it crashes and shows a segmentation fault message.
>
> The opening statement:
>
>  t_fileio* traj = open_xtc("new_traj.xtc", "w+");
>
> returns a number different than zero, indicating that the file was opened
> correctly.
>
> After that, inside analyzeFrame I call write_xtc() to copy the actual
> information into another file in order to check whether the function works
> or not:
>
> write_xtc(traj,
>               fr.atoms->nr, fr.step, fr.time,
>               const_cast <real (*) [3]> (fr.box), fr.x, 10.0);
>
> The frame number 0 signals a segmentation fault. Is write_xtc recommended
> in newer version of Gromacs?
>
>
> Best Regards,
>
> Murilo. G. K.
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