[gmx-users] gromacs-3.3.1 and gcc-4.1.2

David van der Spoel spoel at xray.bmc.uu.se
Tue May 15 21:33:30 CEST 2007

Tuan A. Tran wrote:
> Hi all,
> I have problem with using genion program. It halted when I am trying to 
> replace solvent molecules with ions. I have gromacs-3.3.1 which is a 
> package in debian etch. So I removed it and re-compiled with gcc-4.1.2 . 
> It did not solve the problem. When I compiled gromacs-3.2.1 with 
> gcc-4.1.2, then it worked (on a dell i386 dual core machine). I am also 
> aware of a sucessful compilation of gromacs-3.3.1 with gcc-4.0.2.
> When I used genion program in gromacs-3.3.1 version on a AMD 64x2 
> machine running debian etch, it ran just fine.
> Does anyone know what is going on with gromacs-3.3.1 and gcc-4.1.2 on a 
> i386 machine?
> Tuan

gcc 4.1.x is broken, but there is  a fix in CVS for at least one of the 
bugs. See bugzilla for more info.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se

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