[gmx-users] Gromacs 4.6.3 Installation Issues,
hanniballecter13 at gmail.com
Mon Aug 26 21:18:19 CEST 2013
probably u do not have CUDA. If you are not really interested in performing
simulations using GPU, you can set -DGMX_GPU=off during cmake
On Sat, Aug 24, 2013 at 12:15 PM, No One <not1moreparadox at yahoo.com> wrote:
> i'm having difficulties installing gromacs by creating static links to the
> libraries for fftw3.
> i am currently running:
> this is the input that i'm attempting to utilize and flags errors (and
> some combination there of):
> cmake FFTW3F_INCLUDE_DIR=C:\FFTW\fftw-3.3.3\api
> this is my error output:
> $ cmake FFTW3F_INCLUDE_DIR=C:\FFTW\fftw-3.3.3\api
> FFTWF_LIBRARIES=C:\FFTW\fftw-3.3.3\.libs ..
> -- Could NOT find CUDA (missing: CUDA_CUDART_LIBRARY) (found suitable
> version "5.5", minimum required is "3.2")
> -- Enabling native GPU acceleration
> CMake Error at cmake/FindFFTW.cmake:122 (message):
> The FFTW library /usr/local/lib/libfftw3f.a cannot be used with shared
> libraries. Provide a different FFTW library by setting FFTWF_LIBRARY.
> you don't have a different one, recompile FFTW with "--enable-shared" or
> "--with-pic". Or disable shared libraries for Gromacs by setting
> BUILD_SHARED_LIBS to "no". Note: Disabling shared libraries requires up
> 10x as much disk space.
> Call Stack (most recent call first):
> CMakeLists.txt:948 (find_package)
> any assistance would be appreciated. thanks.
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