[gmx-users] Errors in building gromacs 5.0.4 MPI version

[Steve Seibold]

I got the following errors when I tried to install gromacs MPI version 5.0.4 on a Fedora 18....
I wrote on the command line the following:
cmake '/home/steve/Downloads/gromacs-5.0.4'-DGMX_BUILD_FFTW=ON -DGMX_MPI=ON SCREEN PRINT OUT: -- Found MPI_C: /usr/lib64/openmpi/lib/libmpi.so  -- Could NOT find MPI_CXX (missing:  MPI_CXX_LIBRARIES MPI_CXX_INCLUDE_PATH)-- Checking for MPI_IN_PLACE-- Performing Test MPI_IN_PLACE_COMPILE_OK-- Performing Test MPI_IN_PLACE_COMPILE_OK - Success-- Checking for MPI_IN_PLACE - yes-- Performing Test CATAMOUNT_COMPILE_OK-- Performing Test CATAMOUNT_COMPILE_OK - Failed-- Could NOT find LibXml2 (missing:  LIBXML2_LIBRARIES LIBXML2_INCLUDE_DIR)....-- Checking for module 'fftw3f'--   Nopackage 'fftw3f' found-- pkg-config could not detect fftw3f, trying genericdetection-- Looking for fftwf_plan_r2r_1d in/usr/local/lib/libfftw3f.so-- Looking for fftwf_plan_r2r_1d in/usr/local/lib/libfftw3f.so - found-- Looking for fftwf_have_simd_avx in/usr/local/lib/libfftw3f.so-- Looking for fftwf_have_simd_avx in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_simd_sse2 in /usr/local/lib/libfftw3f.so-- Looking for fftwf_have_simd_sse2 in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_simd_avx in/usr/local/lib/libfftw3f.so-- Looking for fftwf_have_simd_avx in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_simd_altivec in/usr/local/lib/libfftw3f.so-- Looking for fftwf_have_simd_altivec in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_simd_neon in/usr/local/lib/libfftw3f.so-- Looking for fftwf_have_simd_neon in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_sse2 in/usr/local/lib/libfftw3f.so-- Looking for fftwf_have_sse2 in/usr/local/lib/libfftw3f.so - not found-- Looking for fftwf_have_sse in /usr/local/lib/libfftw3f.so-- Looking for fftwf_have_sse in /usr/local/lib/libfftw3f.so- found-- Using external FFT library - FFTW3....CMake Warning: Manually-specified variables were not used by the project:    GMX_BUILD_FFTW  Build files have been written to:/home/steve/Downloads/gromacs-5.0.4/Build--------------------------------------------------------------------------------------------- ERROR LOG (portions of error log…too large to paste here).  Determining if files io.h exist failed with the followingoutput:Change Dir: /home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp Determining if the include file regex exists failed with thefollowing output:Change Dir:/home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp Determining if the function _aligned_malloc exists failedwith the following output:Change Dir:/home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp Determining if the function _fileno exists failed with thefollowing output:Change Dir:/home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp Determining if the function _commit exists failed with thefollowing output:Change Dir:/home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp Determining if the function rsqrt exists failed with thefollowing output:Change Dir: /home/steve/Downloads/gromacs-5.0.4/Build/CMakeFiles/CMakeTmp ….  Let me know if there is a section of the Error output youspecifically would like to see and I will paste it ontoEmail… Thanks, Steve