Merge branch 'origin/release-2020' into master

Resolved Conflicts:
	cmake/gmxVersionInfo.cmake
	src/gromacs/mdlib/lincs_cuda.cuh

Change-Id: Ic184065c27cd13c5871db73b3aeed03b76a1f50c

diff --cc cmake/gmxVersionInfo.cmake
Simple merge

diff --cc src/gromacs/mdlib/lincs_cuda.cu
Simple merge

diff --cc src/gromacs/mdlib/lincs_cuda.cuh
index aea6938831729da411e800464e2aa2d30e2ca010,06c8bb40ab0eb4abf0837c90227dd93d69a65e97..1d56e34303582d86e495efaf37d10457ead3f558
--- 1/src/gromacs/mdlib/lincs_cuda.cuh
--- 2/src/gromacs/mdlib/lincs_cuda.cuh
+++ b/src/gromacs/mdlib/lincs_cuda.cuh
@@@ -113,7 -113,7 +113,7 @@@ public
       * Applies LINCS to coordinates and velocities, stored on GPU.
       * The results are not automatically copied back to the CPU memory.
       * Method uses this class data structures which should be updated
--     * when needed using set() and setPbc() method.
++     * when needed using set() method.
       *
       * \param[in]     d_x               Coordinates before timestep (in GPU memory)
       * \param[in,out] d_xp              Coordinates after timestep (in GPU memory). The
@@@ -157,6 -155,25 +157,14 @@@
       */
      void set(const t_idef& idef, const t_mdatoms& md);
  
 -     * Update PBC data.
 -     *
 -     * Converts pbc data from t_pbc into the PbcAiuc format and stores the latter.
 -     *
 -     * \todo Remove this method. LINCS should not manage PBC.
 -     *
 -     * \param[in] pbc The PBC data in t_pbc format.
 -     */
 -    void setPbc(const t_pbc* pbc);
 -
 -    /*! \brief
+     /*! \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_;

diff --cc src/gromacs/mdlib/update_constrain_cuda_impl.cu
Simple merge

diff --cc src/gromacs/mdrun/runner.cpp
Simple merge