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

[Yogendra Ramtirtha]

Thanks, I will try it all over again :)


On Sat, Feb 22, 2014 at 3:49 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> 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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