On 1/21/13 3:44 AM, Albert wrote:
Hello:
I am compiling the latest gromacs 4.6 with command:
cmake .. -DGMX_MPI=ON -DCMAKE_CXX_COMPILER=/soft/openmpi-1.4.3/bin/mpiCC
-DCMAKE_C_COMPILER=//soft/openmpi-1.4.3/bin/mpicc
-DCMAKE_INSTALL_PREFIX=/soft/gromacs4.6 -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF
-DFFTW_INCLUDE_DIR=/soft/fftw-3.3.3/include
and I get get the following messages. It seems that it doesn't take my own
compiled FFTW but it used the system FFTW:
----------------------------------------------------------------------------------------------------------
-- found fftw3f, version 3.1.2
-- Looking for fftwf_plan_r2r_1d in /usr/lib64/libfftw3f.so
-- Looking for fftwf_plan_r2r_1d in /usr/lib64/libfftw3f.so - found
-- Looking for fftwf_have_simd_avx in /usr/lib64/libfftw3f.so
-- Looking for fftwf_have_simd_avx in /usr/lib64/libfftw3f.so - not found
-- Looking for fftwf_have_simd_sse2 in /usr/lib64/libfftw3f.so
-- Looking for fftwf_have_simd_sse2 in /usr/lib64/libfftw3f.so - found
-- Looking for sgemm_
-- Looking for sgemm_ - found
-- Looking for cheev_
-- Looking for cheev_ - found
-- Checking for dlopen
-- Performing Test HAVE_DLOPEN
-- Performing Test HAVE_DLOPEN - Success
-- Checking for dlopen - found
-- Configuring done
-- Generating done
CMake Warning:
Manually-specified variables were not used by the project:
FFTW_INCLUDE_DIR
----------------------------------------------------------------------------------------------------------
What's more, I compiled fftw3 with options:
./configure --enable-sse --enable-float --with-pic --prefix=/soft/fftw-3.3.3
--enable-single --enable-static --enable-mpi
And I don't find libfftw3f.so in my installation directory:
That's because you used --enable-static. A .so file is a shared object.
ls /soft/fftw-3.3.3/lib
libfftw3f.a libfftw3f.la libfftw3f_mpi.a libfftw3f_mpi.la pkgconfig
Your cmake command needs to use -DFFTWF_INCLUDE_DIR and -DFFTWF_LIBRARY to
indicate the single-precision libraries (note that -DFFTW_INCLUDE_DIR and
-DFFTWF_INCLUDE_DIR specify different things) or simply use
-DCMAKE_PREFIX_PATH=/soft/fftw-3.3.3/ for convenience.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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