[gmx-users] Re[2]: Segmentation fault in Gromacs 4.0 beta1

Vitaly Chaban chaban at univer.kharkov.ua
Tue Sep 16 23:46:26 CEST 2008

>>> 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.
>> -Justin

VC> Justin,
VC> A few days ago I experienced the same problem with genbox in gmx-4.0-beta. I didn't
VC> pay much attention to it since it's just CVS but it actually was
VC> permanently present.

VC> gmx-4.0 compiled with the same parameters on the same system does not
VC> give this error.

I wanted to say gmx-3.3.3. I'm quite tired today, sorry.

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban
tel.: +38-097-8259698

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