Dear Peter,

You once told me you develop in Mac. Would it be possible to you to try to build openmm in 64 bits since now CUDA 3.1 in 64 bits is available for Mac?

Thanks,

Alan

<t>Removing current /usr/local/openmm/lib and "make test" went much better. Perhaps it would mindful to have in the manual a warning for those who have openmm already installed to be aware.<br/> <br/> In 32 bits, using default ccmake and everything went fine. all 78 tests passed.<br/> <br/> In 64 bi...

<t>OK, let's go.<br/> <br/> echo $DYLD_LIBRARY_PATH <br/> /opt/intel/Compiler/11.1/088/lib:/opt/intel/Compiler/11.1/088/lib/intel64:/opt/intel/Compiler/11.1/088/Frameworks/ipp/Libraries:/opt/intel/Compiler/11.1/088/Frameworks/mkl/lib/em64t:/opt/intel/Compiler/11.1/088/Frameworks/tbb/ia32/cc4.0.1_os1...

<t>Thanks Peter!<br/> <br/> Indeed, turning off only OPENMM_BUILD_FREE_ENERGY_CUDA_LIB and I could compiled in 64 bits.<br/> <br/> Then doing make test I got "10% tests passed, 69 tests failed out of 77".<br/> <br/> Confused with this result I did the compilation in 32 bits with lib above ON and got...

<t>Hi there,<br/> <br/> Compiling openmm2.0 from source worked fine in 32 bits. Now that Cuda 3.1 is full 64 bits in Mac I gave a try in 64 bits, by putting in ccmake "CMAKE_OSX_ARCHITECTURES x86_64"<br/> <br/> ...<br/> [ 96%] Building CXX object plugins/freeEnergy/platforms/cuda/sharedTarget/CMakeF...

<t>I found the offending lines in ~/Downloads/OpenMM1.1.1-Source/src/platforms/opencl/CMakeLists.txt<br/> <br/> IF (APPLE)<br/> # SET (CMAKE_CXX_FLAGS "-arch i386")<br/> # SET (CMAKE_C_FLAGS "-arch i386")<br/> ENDIF (APPLE)<br/> <br/> All 49 tests passed.<br/> <br/> Many thanks Peter!<br/> Alan</t>

<t>Thanks Peter,<br/> <br/> Some more progress.<br/> <br/> Trying in 64 bits.<br/> <br/> So, what is holding is what you said. It is in ~/Downloads/build_openmm/platforms/opencl/sharedTarget<br/> <br/> For some reason, the libs there<br/> <br/> ./platforms/opencl/sharedTarget/CMakeFiles/OpenMMOpenCL...

<r>Hi Peter, thanks.<br/> <br/> More on this issue.<br/> <br/> So I am doing OpenCL in 32 bits, but the whole point is I want the stuff in 64 bits and so far only OpenCL can give me this. In the end I don't even need CUDA libs.<br/> <br/> I have pyopencl working fine in my laptop, with python and ev...

<r>Many thanks Peter.<br/> <br/> So, let's see it well.<br/> <br/> I have Mac OSX 10.6.3, Xcode 3.2.2, Cuda 3.0 and OpenMM 1.1.1.<br/> <br/> I created a folder build_openmm, and did:<br/> <br/> ~/Downloads/build_openmm% ccmake -i ../OpenMM1.1.1-Source/src/<br/> <br/> BUILD_TESTING ON <br/> CMAKE_BAC...

<t>Compiling for CUDA only and in 32 bits worked fine, including 'make test' all passed.<br/> <br/> However, trying to compile for OpenCL, I got this:<br/> <br/> [ 84%] Building CXX object platforms/opencl/sharedTarget/CMakeFiles/OpenMMOpenCL_d.dir/__/src/OpenCLCompact.cpp.o<br/> In file included fr...