On Thu, Nov 20, 2014 at 8:58 AM, Carsten Kutzner <[email protected]> wrote:
> > On 19 Nov 2014, at 20:03, Soren Wacker <[email protected]> wrote: > > > Hi Carsten! > > > > Like this?? > > > -DCMAKE_PREFIX_PATH=“/global/software/boost/gcc:~/Programme/fftw3/double/" \ > > > The above line should be right, I assume. Yes, but the version I gave used $HOME, which the shell will expand even within quotes (unlike ~), which might work better somewhere. Mark > > Carsten > > > > > or like this? > > -DCMAKE_PREFIX_PATH="/global/software/boost/gcc" \ > > -DCMAKE_PREFIX_PATH="~/Programme/fftw3/double/" \ > > > > regards > > Soren > > > > -- > > Dr. Soeren Wacker > > Centre For Molecular Simulation, BI # 547 > > The University of Calgary > > 2500 University Drive (NW) > > Calgary, Alberta > > Canada, T2N 1N4 > > > > Tel.: ++1 (403) 210 7860 > > Email: [email protected] > > > > ________________________________________ > > From: [email protected] [ > [email protected]] on behalf of Carsten > Kutzner [[email protected]] > > Sent: Wednesday, November 19, 2014 11:43 AM > > To: [email protected] > > Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with > shared fftw libraries > > > > Hi Sören, > > > > instead of providing FFTWF_INCLUDE_DIR and FFTWF_LIBRARY you > > could also put ~/Programme/fftw3/double/ in CMAKE_PREFIX_PATH as well. > > > > Viele Grüße! > > Carsten > > > > > > On 19 Nov 2014, at 19:25, Soren Wacker <[email protected]> wrote: > > > >> Hi, > >> > >> I have trouble to install gromacs 5.0.2 in double precision with shared > fftw libraries. During the cmake process I get: > >> > >> Could not find fftw3 library named libfftw3, please specify its > location in CMAKE_PREFIX_PATH or FFTW_LIBRARY by hand (e.g. > -DFFTW_LIBRARY='/path/to/libfftw3.so') > >> CMake Error at cmake/gmxManageFFTLibraries.cmake:76 (MESSAGE): > >> Cannot find FFTW 3 (with correct precision - libfftw3f for > mixed-precision > >> GROMACS or libfftw3 for double-precision GROMACS). Either choose the > right > >> precision, choose another FFT(W) library (-DGMX_FFT_LIBRARY), enable the > >> advanced option to let GROMACS build FFTW 3 for you > >> (-GMX_BUILD_OWN_FFTW=ON), or use the really slow GROMACS built-in > fftpack > >> library (-DGMX_FFT_LIBRARY=fftpack). > >> > >> However, I provided the path to libfftwr3.so: > >> > >> cmake ${SOURCE_DIR} \ > >> -DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} \ > >> -DFFTWF_INCLUDE_DIR=~/Programme/fftw3/double/include \ > >> -DFFTWF_LIBRARY=~/Programme/fftw3/double/lib/libfftw3.so \ > >> -DCMAKE_PREFIX_PATH="/global/software/boost/gcc" \ > >> -DGMX_DOUBLE=on \ > >> -DGMX_CPU_ACCELERATION="SSE4.1" > >> > >> I also tried "-DFFTWF_LIBRARY=~/Programme/fftw3/double/lib/" > >> > >> The path is correct: > >>> ls ~/Programme/fftw3/double/lib/libfftw3.so > >> ~/Programme/fftw3/double/lib/libfftw3.so > >> > >> What is going wrong here? > >> > >> kind regards > >> Soren > >> > >> -- > >> Dr. Soeren Wacker > >> Centre For Molecular Simulation, BI # 547 > >> The University of Calgary > >> 2500 University Drive (NW) > >> Calgary, Alberta > >> Canada, T2N 1N4 > >> > >> Tel.: ++1 (403) 210 7860 > >> Email: [email protected] > >> > >> -- > >> 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-users or > send a mail to [email protected]. > > > > > > -- > > Dr. Carsten Kutzner > > Max Planck Institute for Biophysical Chemistry > > Theoretical and Computational Biophysics > > Am Fassberg 11, 37077 Goettingen, Germany > > Tel. +49-551-2012313, Fax: +49-551-2012302 > > http://www.mpibpc.mpg.de/grubmueller/kutzner > > http://www.mpibpc.mpg.de/grubmueller/sppexa > > > > -- > > 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-users or > send a mail to [email protected]. > > -- > > 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-users or > send a mail to [email protected]. > > > -- > Dr. Carsten Kutzner > Max Planck Institute for Biophysical Chemistry > Theoretical and Computational Biophysics > Am Fassberg 11, 37077 Goettingen, Germany > Tel. +49-551-2012313, Fax: +49-551-2012302 > http://www.mpibpc.mpg.de/grubmueller/kutzner > http://www.mpibpc.mpg.de/grubmueller/sppexa > > -- > 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-users or > send a mail to [email protected]. > -- 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-users or send a mail to [email protected].
