[gmx-developers] Regd segmentation fault...

David spoel at xray.bmc.uu.se
Fri Aug 22 20:44:20 CEST 2003

On Fri, 2003-08-22 at 17:46, Anjan Raghunathan wrote:
> Hi,
>   I'd modified gromacs to use my own electrostatic calculation. But now there is a segmentation fault that occurs when I simulate some systems that wouldnt give a problem with normal gromacs electrostatics. 
>   I'd like to know if there is a way to figure out at which step the fault occurs in gromacs as my code doesnt seem to be causing the crash though there could be some blow up in values happening somewhere..
>    Is the debug flag useful in such cases ?

You will probably find it useful to learn using a debugging program. On
Linux I'd advise you to use ddd which is a user friendly front end to
gdb, the Gnu debugger.
You will have to start by recompiling:
gmake clean
gmake CFLAGS=-g
then run mdrun in the debugger
ddd src/kernel/mdrun

> thanks,
> Anjan
> _______________________________________
> Anjan V. Raghunathan
> Graduate Research Assistant
> Computational Electronics Group
> 3213 Beckman Institute,
> Univ. of Illinois at Urbana-Champaign.
> E-mail:araghuna at uiuc.edu 
> Off: 217-244-1964
> Res: 217-355-5418
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Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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