On Thu, Jun 13, 2013 at 10:13 AM, Jernej Zidar <jernej.zi...@gmail.com>wrote:
> Hi, > I'm trying to compile Gromacs 4.6 on a BlueGene cluster but I've > stumbled upon something that looks like a bug. > > Here's how I'm trying: > > 1. Compile FFTW-3.3.2: > ./configure --prefix=/scratch/home/user/fftw-3.3.2 > make && make install > This does not compile a single-precision FFTW (per generic GROMACS installation instructions). > 2. Compile Gromacs 4.6 using instructions from Gromacs' page: > cmake .. -DCMAKE_TOOLCHAIN_FILE=BlueGeneQ-static-XL-C \ > -DCMAKE_PREFIX_PATH=/scratch/home/user/fftw-3.3.2 > > The cmake process completes without any error but make fails stating: > > Could not find fftw3f library named libfftw3f, please specify its > location in CMAKE_PREFIX_PATH or FFTWF_LIBRARY by hand (e.g. > -DFFTWF_LIBRARY='/path/to/libfftw3f.so') > CMake Error at CMakeLists.txt:922 (MESSAGE): > Cannot find FFTW 3 (with correct precision - libfftw3f for > single-precision > GROMACS or libfftw3 for double-precision GROMACS). Either choose the > right > precision, choose another FFT(W) library, enable the advanced option to > let > GROMACS build FFTW 3 for you, or use the really slow GROMACS built-in > fftpack library. > > CMake Error: The following variables are used in this project, but > they are set to NOTFOUND. > Please set them or make sure they are set and tested correctly in the > CMake files: > FFTWF_INCLUDE_DIR (ADVANCED) > > Problem 1: no shared objects are generated during the make phase of FFTW. > You probably want a static FFTW - the suggested solution is generic, though. Problem 2: even when setting the paths as instructed, the make fails > with the same error. Looks like cmake is unable to "read" the path in > "-DCMAKE_PREFIX_PATH". > I'd say it's more likely the single-precision libfftw3f.a file is not there, so it can't be read :-) > > I compiled Cmake myself using GNU compilers. Could this be the problem? > No. Mark > > Thanks in advance, > Jernej > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists