[gmx-users] grompp error(Segmentation fault)

[Mark Abraham]

On 24/04/2010 7:28 AM, Arik Cohen wrote:
> I'll be most thankful if any one would be able to help me with the
> following problem.

Giving more complete information will give you a much better chance. 
It's not our job to be the family doctor and ask questions :-)

What GROMACS version is it? Does upgrading to 4.0.7 help?

> While running the grompp (in both single and double precision) command I
> get a Segmentation fault (core dumped) error.

When? What was the output to date?

> The error persist even
> after recompiling the GROMACS with gcc-4.4.3(previously I was running
> 4.04 compiled with the buggy gcc-4.1 compiler).

Does it happen on another machine?

> The command I'm using is:
>
> grompp_d -f MDP/em.mdp -c 1bgq_Complex_b4ion.pdb -p 1bgq_Complex.top -o
> 1bgq.tpr

What's in the .mdp file?

Mark