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This PR closes #14.
When a GCMC simulation crashes (e.g. running out of waters), the CUDA context stack was left in a dirty state, causing a
PyCUDA ERROR: The context stack was not empty upon module cleanuperror and a core dump. The root cause was thatCUDAPlatform.cleanup()always popped the context exactly once, but a crash occurring mid-move leaves an extra unpopped entry on the stack. This is fixed by tracking the number of outstanding pushes in_push_countand popping that many times incleanup(). Additionally, all push/pop pairs around GCMC operations in the SOMD2 repex and base runners are now wrapped in try/finally to keep_push_countaccurate even when an exception propagates, ensuring cleanup always leaves the stack balanced.