[gmx-users] Installing Gromacs 4.6.5 - Problem with FFTW

[Szilárd Páll]

Hi Marvin,

>From what you write it is not entirely clear how/where did you install
FFTW. If you installed it in a custom location, you need to tell cmake
where that is (use the CMAKE_PREFIX_PATH variable). Otherwise, I
suggest to take the simpler path:
- Either run "cmake .. -DGMX_BUILD_OWN_FFTW=ON" with this instructing
the build system to download and build FFTW during the GROMACS build
process.
- Alternatively, you could also install FFTW through the package
manager (you'll need the libfftw3-3 and libfftw3--dev packages) which
the CMake build scripts should pick up.

Cheers,
--
Szilárd


On Sat, Jan 18, 2014 at 8:30 PM, Maps99 <maps99 at online.de> wrote:
> Hi Mark,
>
> the reason why I am confused is, that I thought cmake checks if everything
> is fine or not. So at the point I tried "cmake .." for the first time, cmake
> started all these tests and finally I got the answer I should install FFTW3
> and so I did. I did this with typing "make". Because "make gmxfftw" as
> suggested, did not do anything. After trying "cmake .." again, it skips all
> the tests and shows me after some seconds that I should install FFTW3. That
> is why I posted my question. In conclusion, I think I did the required
> installation for FFTW3 but still this "error" occcurs.
>
> If I get you right, then I can proceed with the install and everything will
> be fine?
>
> Marvin
>
>
> Am 18.01.2014 18:28, schrieb Mark Abraham:
>
>> Hi,
>>
>> I am trying to install Gromacs 4.6.5 on Kubuntu. My Kubuntu skills are not
>>>
>>> that good, so I kept close to the Install Instructions. I skipted the
>>> "Quick
>>> and Dirty Instrucitons" and now I should be at the point "4.1 Configuring
>>> with CMake". When I insert "cmake ..", I recieve:
>>>
>>>
>>> Can anyone tell me, do I have a problem or not?
>>
>>
>> Clearly our message hasn't communicated well to you. Maybe we need to
>> improve it. What is it about the message that you don't understand?
>>
>> Because I installed the FFTW3 files to the directory:
>>>
>>>
>>> /home/marvin/Downloads/gromacs-4.6.5/src/contrib/fftw/fftwBuild-prefix/lib
>>> Do I have to link something here?? If that is true, can anyone tell me
>>> what I have to insert to the console? As I mentioned, my Linux skills are
>>> very poor.
>>
>>
>> The above instructions suggested you should now "proceed with the build."
>> Is that what you're asking for?
>>
>> Mark
>>
>>
>>
>> On Sat, Jan 18, 2014 at 5:09 PM, GtrAngus <maps99 at online.de> wrote:
>>
>>> Hi guys,
>>>
>>> I am trying to install Gromacs 4.6.5 on Kubuntu. My Kubuntu skills are
>>> not
>>> that good, so I kept close to the Install Instructions. I skipted the
>>> "Quick
>>> and Dirty Instrucitons" and now I should be at the point "4.1 Configuring
>>> with CMake". When I insert "cmake ..", I recieve:
>>>
>>>
>>>
>>> Can anyone tell me, do I have a problem or not? Because I installed the
>>> FFTW3 files to the directory:
>>>
>>>
>>>
>>> Do I have to link something here?? If that is true, can anyone tell me
>>> what
>>> I have to insert to the console? As I mentioned, my Linux skills are very
>>> poor.
>>>
>>> Thanks for your help!
>>> GtrAngus
>>>
>>> --
>>> View this message in context:
>>>
>>> http://gromacs.5086.x6.nabble.com/Installing-Gromacs-4-6-5-Problem-with-FFTW-tp5013869.html
>>> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
>>> --
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