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

Yogendra Ramtirtha ramtirtha.yogendra at gmail.com
Fri Feb 21 12:01:23 CET 2014


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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