[gmx-users] Gromacs installation problem

[Douglas Houston]

Hi,

I am having trouble installing Gromacs 4.6.3.

In bash I am using the following sequence of commands:

cd gromacs-4.6.3
mkdir build
cd build
CC=/usr/people/douglas/programs/gcc-4.7.3/installation/bin/gcc  
~/programs/cmake-2.8.7/bin/cmake .. -DGMX_BUILD_OWN_FFTW=ON
make
sudo make install

Everything seems to go OK until the 'sudo make install' stage when I get:

"make: Warning: File `Makefile' has modification time 1.2e+04 s in the future
CMake Error at cmake/gmxDetectClang30.cmake:36 (try_compile):
   Failed to open

      
/usr/people/douglas/programs/gromacs-4.6.3/build/CMakeFiles/CMakeTmp/CMakeLists.txt

   Permission denied
Call Stack (most recent call first):
   CMakeLists.txt:301 (gmx_detect_clang_3_0)


CMake Error at CMakeLists.txt:946 (add_subdirectory):
   add_subdirectory given source "src/contrib/fftw" which is not an existing
   directory.


CMake Error at CMakeLists.txt:956 (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.


-- Configuring incomplete, errors occurred!
CMake Error: Unable to open check cache file for write.  
/usr/people/douglas/programs/gromacs-4.6.3/build/CMakeFiles/cmake.check_cache
make: *** [cmake_check_build_system] Error 1"


I don't understand the 'permission denied' error on opening  
CMakeLists.txt - when I 'ls' for this file it's not there at all. The  
"let gromacs build FFTW 3 for you" I also don't understand as I'm  
already using the -DGMX_BUILD_OWN_FFTW=ON option.

Any help would be most appreciated.

cheers,

Doug


_____________________________________________________
Dr. Douglas R. Houston
Lecturer
Room 3.23
Institute of Structural and Molecular Biology
Michael Swann Building
King's Buildings
University of Edinburgh
Edinburgh, EH9 3JR, UK
Tel. 0131 650 7358

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