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

[Yogendra Ramtirtha]

Thanks a lot I will try and let you know.


On Fri, Feb 21, 2014 at 4:46 PM, Pavan Kumar <kumar.pavan006 at gmail.com>wrote:

> 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
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