Position buffer ops in CUDA

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm.h

diff --git a/src/gromacs/nbnxm/nbnxm.h b/src/gromacs/nbnxm/nbnxm.h
index abf3cf32052e8c9b68f8880bd6f38512e223d7ab..ef5bda9b8789cca668784e3d7cea62bb42c5c7b5 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.h
+++ b/src/gromacs/nbnxm/nbnxm.h
@@ -244,8 +244,14 @@ struct nonbonded_verlet_t
         void setCoordinates(Nbnxm::AtomLocality             locality,
                             bool                            fillLocal,
                             gmx::ArrayRef<const gmx::RVec>  x,
+                            bool                            useGpu,
+                            void                           *xPmeDevicePtr,
                             gmx_wallcycle                  *wcycle);
 
+        //! Init for GPU version of setup coordinates in Nbnxm, for the given locality
+        void atomdata_init_copy_x_to_nbat_x_gpu(Nbnxm::AtomLocality        locality);
+
+
         //! Returns a reference to the pairlist sets
         const PairlistSets &pairlistSets() const
         {