Add check for coupled constraints for CUDA update

[alexxy/gromacs.git] / src / gromacs / mdlib / update_constrain_cuda_impl.h

diff --git a/src/gromacs/mdlib/update_constrain_cuda_impl.h b/src/gromacs/mdlib/update_constrain_cuda_impl.h
index 62ff01b19c6105fc752c4f7e62c741bd072185cd..68fed99c6b3dae24f48e190f3b44c29d5aa6a9df 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_cuda_impl.h
+++ b/src/gromacs/mdlib/update_constrain_cuda_impl.h
@@ -153,6 +153,14 @@ public:
      */
     GpuEventSynchronizer* getCoordinatesReadySync();
 
+    /*! \brief
+     * Returns whether the maximum number of coupled constraints is supported
+     * by the CUDA LINCS code.
+     *
+     * \param[in] mtop The molecular topology
+     */
+    static bool isNumCoupledConstraintsSupported(const gmx_mtop_t& mtop);
+
 private:
     //! CUDA stream
     CommandStream commandStream_ = nullptr;