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

[Mark Abraham]

Yes. Or you could have tried it to see! :-)

Mark
On Feb 22, 2014 8:04 AM, "Yogendra Ramtirtha" <ramtirtha.yogendra at gmail.com>
wrote:

> Actually, I used the build directory which was created earlier.
> Should I create a new build directory all over again ?
> Can you please guide me.
> Thanks
>
>
> On Sat, Feb 22, 2014 at 12:12 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
> >
> >
> > On 2/21/14, 1:29 PM, Yogendra Ramtirtha wrote:
> >
> >> Hello,
> >> Sorry to disturb you but can you please elaborate, since I tried the
> >> modified command but still it gives similar error as before.
> >>
> >>
> >>
> > Did you start from a clean build directory?
> >
> > -Justin
> >
> >
> >  On Fri, Feb 21, 2014 at 10:49 PM, Yogendra Ramtirtha <
> >> ramtirtha.yogendra at gmail.com> wrote:
> >>
> >>  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. )
> >>>>> --
> >>>>> Gromacs Users mailing list
> >>>>>
> >>>>> * Please search the archive at
> >>>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> >>>>> posting!
> >>>>>
> >>>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >>>>>
> >>>>> * For (un)subscribe requests visit
> >>>>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-usersor
> >>>>> send a mail to gmx-users-request at gromacs.org.
> >>>>>
> >>>>>
> >>>>
> >>>>
> >>>> --
> >>>> Thanks & Regards,
> >>>> Pavan Kumar
> >>>> Project Engineer
> >>>> CDAC -KP
> >>>> Ph +91-7676367646
> >>>> --
> >>>> Gromacs Users mailing list
> >>>>
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> >>>>
> >>>>
> >>>
> >>>
> > --
> > ==================================================
> >
> > Justin A. Lemkul, Ph.D.
> > Ruth L. Kirschstein NRSA Postdoctoral Fellow
> >
> > Department of Pharmaceutical Sciences
> > School of Pharmacy
> > Health Sciences Facility II, Room 601
> > University of Maryland, Baltimore
> > 20 Penn St.
> > Baltimore, MD 21201
> >
> > jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> > http://mackerell.umaryland.edu/~jalemkul
> >
> > ==================================================
> >
> > --
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