[gmx-developers] Segfault in 4.0 with pull=umbrella and pull_geometry=position

Berk Hess hessb at mpip-mainz.mpg.de
Thu Oct 23 12:25:29 CEST 2008


I fixed the bug.
I also corrected the unit of the force in pullf.xvg.

I also changed the pullx output to x for the reference group and dx for 
the other pull groups.


Jochen Hub wrote:
> Hi,
> I'm sorry to come up with another bug.
> With
> pull=umbrella
> and
> pull_geometry=position
> mdrun-4.0 either freezes in the first step or reports a segmentation
> fault, depending on the machine it runs on. (One one machine mdrun even
> worked without error.)
> With pull_geometry=distance everything works fine.
> Has that already been fixed for 4.01? Otherwise I would report a
> bugzilla or send the input files.
> cheers, Jochen

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