Bug fix and simplification for CUDA X Buffer Ops

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

diff --git a/src/gromacs/nbnxm/gridset.h b/src/gromacs/nbnxm/gridset.h
index e59a8584c1582dbb5c34f4bc46607fb396ee6937..a4eaf6256e8189e20f6d890a5a4f8a011ddf2bb1 100644 (file)
--- a/src/gromacs/nbnxm/gridset.h
+++ b/src/gromacs/nbnxm/gridset.h
@@ -185,6 +185,18 @@ class GridSet
             copy_mat(box_, box);
         }
 
+        //! Returns the maximum number of columns across all grids
+        int numColumnsMax() const
+        {
+            return numColumnsMax_;
+        }
+
+        //! Sets the maximum number of columns across all grids
+        void setNumColumnsMax(int numColumnsMax)
+        {
+            numColumnsMax_ = numColumnsMax;
+        }
+
     private:
         //! Returns collection of the data that covers all grids
         const GridSetData getGridSetData()
@@ -213,6 +225,9 @@ class GridSet
         int                   numRealAtomsTotal_;
         //! Working data for constructing a single grid, one entry per thread
         std::vector<GridWork> gridWork_;
+        //! Maximum number of columns across all grids
+        int                   numColumnsMax_;
+
 };
 
 } // namespace Nbnxm