[gmx-users] Re: Segmentation fault in Gromacs 4.0 beta1
gmx3 at hotmail.com
Fri Sep 19 12:15:33 CEST 2008
I just noticed that for some time there has been a bug genbox in Gromacs 4
that (always) caused a segv.
I have fixed it now.
> Date: Wed, 17 Sep 2008 00:46:26 +0300
> From: chaban at univer.kharkov.ua
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Re: Segmentation fault in Gromacs 4.0 beta1
> >>> 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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