Re: [gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

Hi, The GPU version uses the CUFFT libraries that come with CUDA, and no external or internal CPU libraries are actually being used. You can safely ignore the message. Rossen On 8/6/10 9:31 PM, chris.ne...@utoronto.ca wrote: Thank you Rossen, that worked. When I compile, should I be inclu

[gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

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/

Re: [gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

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/

[gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

Dear Szilárd and Rossen: I have attempted with gcc4.4.0 and I got the same result. I can verify that cmale/FindCUDA.cmake exists and contains the MARCO for CUDA_INCLUDE_DIRECTORIES but it seems that this library is not, for some reason, getting loaded in by at least kernel/gmx_gpu_utils/C

Re: [gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

Hi Chris, What Gromacs source code are you using? If you used the tarball from the website, or any recent git revision you should have, e.g.: $ cd gromacs-4.5-beta2 $ ls cmake/FindCUDA* cmake/FindCUDA.cmake cmake/FindCUDA: make2cmake.cmake parse_cubin.cmake run_nvcc.cmake All those missing

[gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

It turns out that I can make the error message with CUDA_INCLUDE_DIRECTORIES go away by adding the following text to kernel/gmx_gpu_utils/CMakeLists.txt MACRO(CUDA_INCLUDE_DIRECTORIES) FOREACH(dir ${ARGN}) SET(CUDA_NVCC_INCLUDE_ARGS ${CUDA_NVCC_INCLUDE_ARGS} -I${dir}) ENDFOREACH(dir $

[gmx-users] compiling GPU 4.5b2, CUDA_INCLUDE_DIRECTORIES function is undefined

Dear users: I previously posted about difficulties compiling gromacs 4.5b2 for GPUs: http://lists.gromacs.org/pipermail/gmx-users/2010-August/052905.html It turns out that this problem was not directly related to version. First, I had to add -DLIB_INSTALL_DIR=$(pwd)/install_dir to the cmake cal