[gmx-users] Guidance on how to install Gromacs-5.0-beta2

[Pavan Kumar]

Hello Yogendra,

Remove "-DGMX_BUILD_OWN_FFTW=ON" argument and add
"CMAKE_PREFIX_PATH=/path/to/fftw"

I hope it works


On Fri, Feb 21, 2014 at 4:31 PM, Yogendra Ramtirtha <
ramtirtha.yogendra at gmail.com> wrote:

> Hello,
> Actually, I am trying to install Gromacs-5.0-beta2 on my systemwhich has
> Ubuntu 12.04.
> Everything went fine untill the make command which gives me the following
> error -
>
> ( [  0%] Performing download step (verify and extract) for 'fftwBuild'
> -- verifying file...
>      file='http:/www.fftw.org/fftw-3.3.3.tar.gz'
> -- verifying file... warning: did not verify file - no URL_HASH specified?
> -- extracting...
>
>
>  src='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/
> www.fftw.org/fftw-3.3.3.tar.gz'
>
>
>  dst='/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/fftwBuild'
> CMake Error at fftwBuild-stamp/extract-fftwBuild.cmake:11 (message):
>   error: file to extract does not exist:
>
>
> '/home/yogendra/Desktop/gromacs-5.0-beta2/build/src/contrib/fftw/fftwBuild-prefix/src/http:/
> www.fftw.org/fftw-3.3.3.tar.gz'
>
>
> make[2]: ***
> [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-download]
> Error 1
> make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2
> make: *** [all] Error 2 )
>
> To deal with this error, I manually installed fftw-3.3.3 on my desktop but
> the major hurdle now is that I don't know how to proceed with Gromacs
> installation.
> Please can anyone guide me, I need help as Gromacs is a part of my academic
> work. ( I am a graduate student of biotechnology. )
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-- 
Thanks & Regards,
Pavan Kumar
Project Engineer
CDAC -KP
Ph +91-7676367646