[gmx-users] Nitty Gritty details of compiling to use both cores of an X86 core-duo

Mark Abraham Mark.Abraham at anu.edu.au
Thu Feb 22 06:51:06 CET 2007

Trevor Marshall wrote:
> ...when I tried to 
> compile the FFTW and GROMACS sources (with gcc 4.1) the Configure script 
> complains that this compiler doesn't recognize the MPI commands.
> Is it possible to compile using gcc 4.1 so that I get an SMP system 
> using both cores of my CPU? Do I need a different compiler? What 
> switches or script tweaks do I need?

If neither FFTW or GROMACS will compile with gcc 4.1 then it sounds like 
the problem is there, not with anything relevant to gromacs. Have I 
misread what you intended to say?

One obvious path would be to try an old (3.x) version of gcc...


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