Dear Eastman,

Thank you for providing me with the information. I will take note to choose the most optimal hardware.

Best regards,
Hoa T. Le

Dear developers, I read about OpenMM platforms in the user guide and tried several tutorials. They don't explicitly state support for heterogeneous hardware. So, I have several questions: 1) Does OpenMM support simulation simultaneously using multiple CPU threads and multiple GPUs? Or multiple CPU t...

Perhaps the directory you set with CMAKE_INSTALL_PREFIX is somewhere Python isn't looking for libraries? My CMAKE_INSTALL_PREFIX is /usr/local/openmm My Python package is installed via conda. From what I read, environment variable also works for Conda. So, I added the cmake install prefix directory...

Hi Eastman, Thank you for your help. That symbol is in the libOpenMMAmoeba.so file, which is located in the directory specified by CMAKE_INSTALL_PREFIX. I've also included the installation directory to the PYTHONPATH environment variable, rebuild PythonInstall, run: python -m openmm.testInstallation...

Dear Developers, I am trying to install the Python API using source code. The platform is x64 Linux GNU with CUDA. When I invoke this command: python -m openmm.testInstallation or try to run a tutorial script, I encounter this error: Traceback (most recent call last): File "<frozen runpy>", line 189...