[gmx-users] How to provide the FFTW3 install directory

[Ly Minh Nhat]

I downloaded the fftw and gromacs tar file to the desktop, extract them in
desktop. I install fftw by ./configure, make and make install, so I (quite)
sure that the directory of fftw3 is Desktop/fftw3.3.4

I also try Desktop/fftw3.3.4, /home/ooker/Desktop/fftw3.3.4 as your
suggestion, but it still doesn't work. And yes, I delete the build folder
each time I try to install it.


On Mon, Mar 31, 2014 at 4:53 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/31/14, 2:32 AM, Ly Minh Nhat wrote:
>
>> Sorry, let me make it be clear.
>>
>> Because using gromacs 4.6 gives me an error, so I want to try the older or
>> newer version. I have the 4.5.7 and 5.0 beta2 version, also have fftw3.3.4
>> and MKL 11.1 in my desktop, all is downloaded from original sites.
>>
>> Everything is normal when I install fftw3, I don't see any error. I think
>> ~/Desktop/fftw3.3.4 is my path to fftw.
>>
>>
> Knowing is better than thinking.  You need to be absolutely sure or
> anything else you do is pointless.
>
>
>  So I go to gromacs folder, make a build folder. But using cmake .. or
>> cmake
>> .. -DCMAKE_PREFIX_PATH=~/Desktop/fftw3.3.4 still give me the same error
>> (in
>> the first message).
>>
>>
> Are you starting from a clean build directory each time?  Have you tried
> using the explicit path rather than starting with ~/ ?  I don't know that
> it would cause a problem, but it's worth a shot.
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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