[gmx-users] Re: Install problem

Erik Lindahl lindahl at cbr.su.se
Thu Jul 19 11:30:00 CEST 2007


On Jul 19, 2007, at 12:52 AM, Ibrahim M. Moustafa wrote:

> Hi Jhon,
>    I have the same issue with GROMACS on Mac PPC 10.4.
> The program executes only with the full path specified. I posted a  
> similar question
> before, you can check the archive, but got no solution for the  
> problem.
> What I did is that I aliased all modules in GMXBIN to the full path  
> and it works fine with me.
>   If you find another solution for the problem, I'd love to know.

When Gromacs is installed, the location specified with --prefix= on  
the configure line is compiled into the program.

At runtime, we do the following to find library files:

1. First we look in the current directory for files
2. Then, If the GMXLIB variable is set, we look there.
3. Failing that, we check in the default install location compiled-in.
4. Finally, if nothing else works, we try to find the full path to  
the binary you executed (either it's in the path variable, or you  
gave a full path when running), and look in the same tree for a  
gromacs installation.

Thus, if you used fink to install but Gromacs can't find the  
libraries my first bet would be that --prefix wasn't set correctly  
during compile.



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