Hi Berk,
I tried this fix, but mdrun_mpi is still hanging. I'll try to use the
debugger by the end of the week and let you know.
Cheers,
Patrick
Berk Hess a écrit :
Hi,
My guess is that this is not the problem.
But it is very easy to try, so please do.
The diff for src/gmxlib/pbc.c is:
392c392,393
< try[d] == 0;
---
> try[d] = 0;
> pos[d] = 0;
Berk
> Date: Tue, 6 Jan 2009 18:37:20 +0100
> From: patrick.fu...@univ-paris-diderot.fr
> To: gmx-users@gromacs.org
> Subject: Re: Subject: Re: Re: [gmx-users] Gromacs 4 bug?
>
> Hi,
>
> > I also fixed a problem with unitialized variables for pbc calculations
> > in trilinic boxes.
> > But up till now I have not observed any effect of this bug.
> > Is your box triclinic?
> Yes it is. So shall I test your corrected version ?
>
> Patrick
>
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