Hi, You did choose to get involved with details, rather than using CMAKE_PREFIX_PATH... :-)
Mark On Wed, Nov 19, 2014 at 11:05 PM, Soren Wacker <[email protected]> wrote: > So, when I compile in double precision it must be > > -DFFTW_INCLUDE_DIR=~/Programme/fftw3/double/include \ > > when it is single precision it should be > > -DFFTWF_INCLUDE_DIR=~/Programme/fftw3/single/include \ > > Always, these little details that make computation so much fun ;-) > > -- > 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 Mark > Abraham [[email protected]] > Sent: Wednesday, November 19, 2014 3:01 PM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with > shared fftw libraries > > On Wed, Nov 19, 2014 at 7:25 PM, 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 \ > > > > If you want to specify these paths, don't give the double-precision > libraries as values to the single-precision (*F*loating point) FFTW > variables. Use -DFFTW_INCLUDE_DIR= etc. > > > > -DCMAKE_PREFIX_PATH="/global/software/boost/gcc" \ > > > > Or avoid handling those naming problems yourself and use > > -DCMAKE_PREFIX_PATH="/global/software/boost/gcc;$HOME/Programme/fftw3/double" > > Mark > > -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]. > > > -- > 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]. > -- 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].
