[gmx-users] fftw compile error for 4.6.2

Albert mailmd2011 at gmail.com
Thu Jul 4 09:09:32 CEST 2013


  I am trying to compile Gromacs-4.6.2 for a GPU cluster with following 

CC=icc FC=ifort F77=ifort CXX=icpc 
cmake .. -DGMX_MPI=ON 
-DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs -DGMX_GPU=ON 
-DFFTWF_LIBRARY= /export/fftw-3.3.3

but it always claimed errors for fftw:

-- Found PkgConfig: /usr/bin/pkg-config (found version "0.21")
-- checking for module 'fftw3f'
--   package 'fftw3f' not found
-- pkg-config could not detect fftw3f, trying generic detection
-- Looking for fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib
WARNING: Target "cmTryCompileExec1612346837" requests linking to 
directory "/export/fftw-3.3.3/lib".  Targets may link only to 
libraries.  CMake is dropping the item.
-- Looking for fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib - not found
CMake Error at cmake/FindFFTW.cmake:97 (message):
   Could not find fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib, take a 
look at
   the error message in
   /home/albert/install/gromacs-4.6.2/build/CMakeFiles/CMakeError.log to 
   out what went wrong.  If you are using a static lib (.a) make sure 
you have
   specified all dependencies of fftw3f in FFTWF_LIBRARY by hand (e.g.
   -DFFTWF_LIBRARY='/path/to/libfftw3f.so;/path/to/libm.so') !
Call Stack (most recent call first):
   CMakeLists.txt:943 (find_package)

-- Configuring incomplete, errors occurred!

I compiled fftw with options:

./configure CC=icc CXX=icpc F77=ifort FC=ifort 
--prefix=/home/albert/install/fftw-3.3.3 --enable-float --with-pic 
--enable-single --enable-static --enable-mpi

and I don't find so called "libfftw3f.so" in the fftw installation 

does anybody have any advices?



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