Thank you Rossen, that worked.
When I compile, should I be including my FFTW as per normal? I didn't
do that since it was not mentioned and during the build, I get "--
Using internal FFT library - fftpack"
--- original message ---
Hi Chris,
## what I did:
module purge
module load gcc/gcc-4.4.0
module load cmake/2.8.0 #need version >=2.6.4
module load cuda/cuda-3.1
mkdir gpuexec
export
OPENMM_ROOT_DIR=/project/pomes/cneale/GPC/exe/OpenMM2.0-Source/exec/openmm
cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/*src*
-DGMX_OPENMM=ON
Here is the problem - you are passing to CMake the wrong path, it should
be just /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/ (rather
than ...-beta2/*src*)
-DGMX_THREADS=OFF -DCMAKE_INSTALL_PREFIX=$(pwd)/gpuexec
-DLIB_INSTALL_DIR=$(pwd)/gpuexec
## output
CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18
(CUDA_INCLUDE_DIRECTORIES):
Unknown CMake command "CUDA_INCLUDE_DIRECTORIES".
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