Re: [gmx-users] question about fftw3 in gromacs 4.6 installation

2013-01-21 Thread Albert
On 01/21/2013 01:31 PM, Justin Lemkul wrote: 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

Re: [gmx-users] question about fftw3 in gromacs 4.6 installation

2013-01-21 Thread Justin Lemkul
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=O