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

[Justin A. Lemkul]

Justin A. Lemkul wrote:
> 
> 
> xianghong qi wrote:
>> Thanks for your response.
>> I followed the instruction in CVS. my architecture is x86-64, and 
>> compiler is gcc.  thanks.

Be careful to use a compatible gcc version (i.e., not 4.1.x).  Bad
compilers can often produce nonfunctional executables.

-Justin

>> I will try 3.3.3
>> -Xianghong Qi
>>
>> On Tue, Sep 16, 2008 at 4:02 PM, Justin A. Lemkul <jalemkul at vt.edu 
>> <mailto:jalemkul at vt.edu>> wrote:
>>
>>
>>
>>     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.
>>
>>     -Justin
>>
>>
>>         -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 <http://vt.edu> | (540) 231-9080
>>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>>     ========================================
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>>
>>
>>
>> -- 
>> 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.
> 

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================