I got an error regarding fftw3. Maybe not related to GMX itself, but I appreciate any comment for that.
root@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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
