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

[Ly Minh Nhat]

More info: after cmake successfully, during make I meet many warnings, one
of them like this:

/home/ooker/Desktop/gromacs-4.5.7/src/mdlib/forcerec.c: In function
'init_forcerec':
/home/ooker/Desktop/gromacs-4.5.7/src/mdlib/forcerec.c:288:15: warning:
'tmp_charge[3]' may be used uninitialized in this function
[-Wmaybe-uninitialized]
             if(tmp_charge[j] != solvent_parameters[k].charge[j])
               ^
/home/ooker/Desktop/gromacs-4.5.7/src/mdlib/forcerec.c:171:23: note:
'tmp_charge[3]' was declared here
     real              tmp_charge[4];

But it still continues.


On Wed, Apr 2, 2014 at 2:10 AM, Ly Minh Nhat <ganuongphap at gmail.com> wrote:

> a) Did you mean "build" as make a build folder? If so, then yes. My
> process is mkdir build, cd bulid, cmake .., make, make install.
>
> b) I load enviroment variable during cmake: cmake ..
> -DCMAKE_PREFIX_PATH=/usr/local
>
> There is no output for source /usr/local/gromacs/bin/GMXRC
>
> ooker at ooker-Aspire-4741:~$ source /usr/local/gromacs/bin/GMXRC
> ooker at ooker-Aspire-4741:~$
>
> There is GMXRC file in /usr/local/gromacs/bin.
>
>
> On Tue, Apr 1, 2014 at 10:36 PM, Mirco Wahab <
> mirco.wahab at chemie.tu-freiberg.de> wrote:
>
>> On 01.04.2014 17:12, Ly Minh Nhat wrote:
>>
>>> When I type which mdrun in the terminal, it does nothing
>>>
>>> ooker at ooker-Aspire-4741:~$ which mdrun
>>> ooker at ooker-Aspire-4741:~$
>>>
>>
>> Did you
>>  (a) install gromacs after build?
>>
>>  (b) load environment variables after install
>>      $> source /usr/local/gromacs/bin/GMXRC
>>      see: "Getting access to GROMACS after installation"
>>      in http://www.gromacs.org/Documentation/Installation_
>> Instructions_4.5#Final_Installation
>>
>>
>> M.
>>
>>
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>
>