[gmx-developers] Re: Memory allocation bug in g_traj (cvs + 3.3.1)

[wolfram at picb.ac.cn]

Hello Berk,

I do not really know why the index becomes negative, I did not
use the -shuffle option. Looks like something goes wrong here,
maybe while building the topology?
If you are looking for an example, the error happens e.g. with the system
in gromacs/tutor/methanol, but I also encountered the bug with another
small system.
Throwing a fatal error instead is not the best option I think, as we
can avoid it by simply checking if isize[i] becomes negative.

Cheers,
Wolfram


>
> I think I am too tired...
> The atndx should be there, so ignore my previous mail.
>
> I have committed a check in g_traj to the CVS head branch.
> I would assume your system would now give a fatal_error
> instead of producing a negative isize[i].
>
> Berk.
>
>
>
>
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