Detailed description |
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When running PyOpenMM if an OpenMM exception is thrown while initializing a Cuda context, then the next time a Cuda context is created, the program dies during initialization of the board w/ the error message: Cuda Error setting device flags setting the device when a process is active is not allowed. This suggests the board has not been marked as being inactive. This behavior was first observed by John Chodera on a Cuda MacBook Pro; it was reproduced on the SIMBIOS cluster machine t0. |
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