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Dear expers,

I'm trying to compile openmm-2.0 in my gpu machine (CUDA 3.2). But, I got the following errors. Is there any body who can help me?

Thank you so much,
Jae H. Park
-----------------------------------
Linking CXX shared library libOpenMM.so
[ 35%] Built target OpenMM
Linking CXX executable ../../../TestReferenceAndersenThermostat
../../../libOpenMM.so: undefined reference to `GpuGBVISoftcore::getGpuSwitchDerivative() const'
../../../libOpenMM.so: undefined reference to `GpuGBVISoftcore::setQuinticUpperLimit(float)'
../../../libOpenMM.so: undefined reference to `GpuGBVISoftcore::getQuinticUpperLimit() const'
../../../libOpenMM.so: undefined reference to `cudaFree'

Hi Jaehyun,

I would first try removing the free energy plugin from the build; the error messages are coming from attempts to link to methods included in the free energy plugin libs. When you run Cmake, set the values of the variables names OPENMM_BUILD_FREE_ENERGY_PLUGIN and OPENMM_BUILD_FREE_ENERGY_CUDA_LIB to 'OFF'.

Mark

Thank you, Mark.
I succeeded to complie openmm-2.0 with CUDA 3.2.

But, whe I run "HelloWaterBox" in the example, I got the error os "invalid argument launching kernel kReduceForces".
Is there any expert who can help a beginner by commemting on such a simple error?

Best,
Jae H. Park