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

[Mark Abraham]

Hi,

Sorry for the bug with gmxfftw - that's an old name which we are fixing for
the future. Generally, you can just use cmake and then make and things are
fine. The warning is there only if you wish to fully protect your interests
;-) The chance of being damagingly exploited is just about zero.

Mark



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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