[gmx-users] gromacs build options

[Mahmood Naderan]

I got an error regarding fftw3. Maybe not related to GMX itself, but I
appreciate any comment for that.


root at cluster:build# /share/apps/computer/cmake-3.2.3-Linux-x86_64/bin/cmake
.. -DCMAKE_C_COMPILER=/share/ap
ps/computer/openmpi-2.0.1/bin/mpicc
-DCMAKE_CXX_COMPILER=/share/apps/computer/openmpi-2.0.1/bin/mpic++
-DCMAKE_PREFIX_PATH=/share/apps/chemistry/gromacs-5.1
-DBUILD_SHARED_LIBS=off
-DFFTWF_LIBRARY=/share/apps/computer/fftw-3.3.5/lib/libfftw3_mpi.a
-DFFTWF_INCLUDE_DIR=/share/apps/computer/fftw-3.3.5/include
-- No compatible CUDA toolkit found (v4.0+), disabling native GPU
acceleration
-- Looking for fftwf_plan_r2r_1d in
/share/apps/computer/fftw-3.3.5/lib/libfftw3_mpi.a
-- Looking for fftwf_plan_r2r_1d in
/share/apps/computer/fftw-3.3.5/lib/libfftw3_mpi.a - not found
CMake Error at cmake/FindFFTW.cmake:100 (message):
  Could not find fftwf_plan_r2r_1d in
  /share/apps/computer/fftw-3.3.5/lib/libfftw3_mpi.a, take a look at the
  error message in
  /share/apps/chemistry/gromacs-5.1/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):





I don't understand the last message. Should I use shared libs only?



Regards,
Mahmood