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

Trevor Marshall trevor at trevormarshall.com
Thu Feb 22 06:58:28 CET 2007

Thanks for your response.
Do you know of a 3.x version which does compile GROMACS / FFTW OK for a 
core-duo? Can you help me with a gcc switch configuration which worked on 
one of those compilers?


At 09:51 PM 2/21/2007, Mark Abraham wrote:
>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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