[gmx-users] Gromacs installation problem

Douglas Houston DouglasR.Houston at ed.ac.uk
Fri Jul 12 12:18:20 CEST 2013


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
~/programs/cmake-2.8.7/bin/cmake .. -DGMX_BUILD_OWN_FFTW=ON
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


   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

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.  
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.



Dr. Douglas R. Houston
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

The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.

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