[gmx-users] Re: Segmentation fault in Gromacs 4.0 beta1
chaban at univer.kharkov.ua
Tue Sep 16 23:36:09 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.
A few days ago I experienced the same problem with genbox in gmx-4.0-beta. I didn't
pay much attention to it since it's just CVS but it actually was
permanently present. gmx-4.0 compiled with the same parameters on the same system does not
give this error.
There's no such problem in gmx-3.3.3 and earlier ones. I would suggest
you to use them to avoid much headache.
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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