Hi all,
Now I'm trying install a votca version of Gromacs on a server.
The build.sh goes through the SSE2 and comes to setting fftw for Gromacs.
After consulting the server admin, I used these keyword: (it has both
static and shared libraries)
module load mercurial
module load cmake
module load sqlite
./build.sh -DEXTERNAL_BOOST=OFF
-DFFTW3_LIBRARY=/usr/common/usg/fftw/3.2.2-pgipic/lib/libfftw3.so
-DFFTW3_INCLUDE_DIR=/usr/common/usg/fftw/3.2.2-pgipic/include \
-DGSL_LIBRARY=/usr/common/usg/gsl/1.13/lib/libgsl.so
-DGSL_INCLUDE_DIR=/usr/common/usg/gsl/1.13/include
-DGSLCBLAS_LIBRARY=/usr/common/usg/gsl/1.13/lib/libgslcblas.so \
-DSQLITE3_INCLUDE_DIRS=/usr/syscom/nsg/opt/sqlite/3.7.9/include
-DSQLITE3_LIBRARY=/usr/syscom/nsg/opt/sqlite/3.7.9/lib/libsqlite3.so \
-DGMX_CPU_ACCELERATION=SSE2
-DFFTWF_LIBRARY=/usr/common/usg/fftw/3.2.2-pgipic/lib/libfftw3.so
-DFFTWF_INCLUDE_DIR=/usr/common/usg/fftw/3.2.2-pgipic/include gromacs csg
But It still fails with these error message:
-- Enabling SSE2 Gromacs acceleration, and it will help compiler
optimization.
-- 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
/usr/common/usg/fftw/3.2.2-pgipic/lib/libfftw3.so
-- Looking for fftwf_plan_r2r_1d in
/usr/common/usg/fftw/3.2.2-pgipic/lib/libfftw3.so - not found
CMake Error at cmake/FindFFTW.cmake:105 (message):
Could not find fftwf_plan_r2r_1d in
/usr/common/usg/fftw/3.2.2-pgipic/lib/libfftw3.so, take a look at the
error
message in
/global/scratch/sd/yongleli/VOTCA/votca-csg-1.2.3/gromacs/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:914 (find_package)
Seems it found wrong pkg-config path and that makes following configuration
of fftw wrong.
Am I right? If so, how can I specify the pkg-config path?
Thanks!
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