[gmx-users] Question on installation

[Johnny Lu]

May be just let gromacs build its own fftw3 library, by
using -DGMX_BUILD_OWN_FFTW=ON in the cmake command,
is a better idea?

On Mon, Dec 8, 2014 at 2:23 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 12/8/14 12:38 PM, Igor Shchechkin wrote:
>
>> Dear Gromacs users,
>>
>> I have obtained the error "Cannot find fftw3f library" installing
>> 4.5.3 version of Gromacs.
>>
>> fftw 3.3.4 version has been preliminary installed,
>> names of include and lib directories present in CPPFLAGS and LDFLAGS
>> configuring Gromacs,
>> both FFTW and Gromacs are configured in single precision.
>> Mailing list is sought and the information found is irrelevant to my case.
>>
>> Could you, please, help me?
>>
>>
> You need to provide the actual command(s) you issued.  If FFTW is
> installed, whatever you specified as a path during Gromacs installation was
> probably just wrong.
>
> -Justin
>
> --
> ==================================================
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
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