It seems that GROMACS is looking for a shared library, but you compiled
FFTW statically (--enable-static). Either recompile FFTW --enable-shared
or link GROMACS statically by passing -DBUILD_SHARED_LIBS=OFF to cmake.
On our cluster I had problems compiling the MPI version of GROMACS with
dynamic libraries. It did not work out of the box, google did not help
much and out of frustration I ended up using static libraries. I
remember having a similar error message as yours: fftwf_plan_r2r_1d not
found, but I could verify that this function was present in the symbol
table of the shared fftw library. So I think it is a bug.
Note: Static linking makes you GROMACS installation about 10 times as big.
Regards,
Oliver
On 07/04/2013 09:09 AM, Albert wrote:
Hello:
I am trying to compile Gromacs-4.6.2 for a GPU cluster with following
command:
CC=icc FC=ifort F77=ifort CXX=icpc
CMAKE_PREFIX_PATH=/export/intel/cmkl/include/fftw:/export/mpi/mvapich2.amd/1.4
cmake .. -DGMX_MPI=ON
-DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs -DGMX_GPU=ON
-DBUILD_SHARED_LIBS=OFF -DCUDA_TOOLKIT_ROOT_DIR=/export/cuda5.0
-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
find
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
directory.
does anybody have any advices?
THX
Albert
--
Oliver Schillinger
Master's student
Forschungszentrum Juelich GmbH
52425 Juelich | Germany
Building 5.8v, Room 3010
Phone: 02461-61-9532
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
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