[gmx-users] Re: Segmentation fault in Gromacs 4.0 beta1

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 16 22:02:17 CEST 2008

xianghong qi wrote:
> Hi, everyone:
> I am a beginner for Gromacs. I am using the latest version  Gromacs 4.0 
> beta1. Then I follow the tutorial part: Introduction to MD 
> <http://md.chem.rug.nl/education/mdcourse/> by the Groningen group. 
> Compiling is ok, but I always get the Segmentation fault when I use 
> command : genbox -cp minimized_box.gro -cs spc216.gro -o 
> minimized_water.gro -p aki.top. Also I get the same problem when i try 
> other exercises.  Does anyone has same problem like me ? or can anyone
> give me a hint for that?  Thanks in advance. 

It sounds like your installation is faulty.  What architecture are you running 
on?  What compilers did you use?

If you are just starting out, it is probably better to use an official release 
of Gromacs (the latest being 3.3.3), since 4.0beta1 is still in development.


> -Xianghong Qi
> -- 
> Postdoctoral Associate
> Department of Chemistry
> University of Pittsburgh
> Chevron Science Center
> 219 Parkman Avenue
> Pittsburgh, PA 15260
> Office: 338 EBERLY
> Phone: 412-383-5400
> Some people make the world more special just by being in it.
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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