openmmexampleplugin
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openmm
An example of how to write a plugin for OpenMM
When I unzip the file and do the following: ``` $mkair build $cd build $ccmake .. ``` ``` CMAKE_BUILD_TYPE CMAKE_INSTALL_PREFIX /usr/local/openmm CUDA_HOST_COMPILER /usr/bin/cc CUDA_SDK_ROOT_DIR CUDA_SDK_ROOT_DIR-NOTFOUND CUDA_TOOLKIT_ROOT_DIR /usr/local/cuda-12.3 CUDA_USE_STATIC_CUDA_RUNTIME ON CUDA_rt_LIBRARY...
When I install [https://github.com/openmm/openmmexampleplugin?tab=readme-ov-file](url), After I downloaded and unzipped the file, I renamed it openmm, and then ran the commands in sequence ` $ cd openmm $ mkdir build &&...
I am planning to write a new force that uses the RMSD between molecules and I will use the OpenMM RMSDForce as a base. The first thing I did was...
The `ExampleForce` tests fail in the CUDA platform when executing the following line: https://github.com/openmm/openmmexampleplugin/blob/6340817d2c53105c0cb8c862d83653b7ebc079db/platforms/common/src/CommonExampleKernels.cpp#L83 I compiled both OpenMM and this plugin with the same GCC compiler (version 11.2.0) and CudaToolkit...
openmm built like: ``` $ conda install -c conda-forge cmake make cython swig fftw doxygen numpy $ git clone https://github.com/openmm/openmm.git $ cd openmm $ mkdir build $ cd build $...
I have come across an error that is really perplexing me. I have tried to create a custom integrator. It compiles, and tests are all successful. But when I come...
Hey, I had some fun with the archive but the kernel is just this: ```C++ real3 delta = make_real3(pos2.x-pos1.x, pos2.y-pos1.y, pos2.z-pos1.z); real r = SQRT(delta.x*delta.x + delta.y*delta.y + delta.z*delta.z); float2...
1. Fresh install of OpenMM from master. Passes tests. 2. Fresh install of example plugin from master. ``` % make test !10215 Running tests... Test project /Users/jlmaccal/Build/SamplePlugin Start 1: TestSerializeExampleForce...
