Hi Carsten! Like this?? -DCMAKE_PREFIX_PATH="/global/software/boost/gcc:~/Programme/fftw3/double/" \
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].
