[gmx-users] installing Gromacs with non-standard location of LAM/MPI

Ivica Res res at mercury.pa.uky.edu
Wed Jun 7 02:40:02 CEST 2006


Dear Mark,

Thank you for the prompt answer.
I did, however, compile FFTW with the --enable-float option,
as I tried to explain in the original message.
It is my understanding that this gives me the float version
of FFTW, doesn't it. Is there any other reason why
this linking might not function?

Thanks,

Ivana

On Wed, 7 Jun 2006, Mark Abraham wrote:

> Ivica Res wrote:
>> Dear all,
>> 
>> 
>
>> checking for fftw3.h... yes
>> checking for main in -lfftw3f... no
>> configure: error: Cannot find fftw3f library.
>> 
>> Notably, if the --enable-mpi option is skipped, ./configure
>> completes successfully.  However, I do need the mpi version.
>> 
>> Any suggestions how to explain to configure where
>> is main in fftw3f ?
>
> You don't have the float version of fftw3 installed. A few months back I 
> posted a HOWTO to this mailing list for install GROMACS under cygwin that 
> described how to fix this. Please search the archives.
>
> Mark
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