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 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. 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 compiled Cmake myself using GNU compilers. Could this be the problem? 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
