Redevelopment of GPU Force Reduction/Buffer Ops

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

diff --git a/src/gromacs/nbnxm/nbnxm.h b/src/gromacs/nbnxm/nbnxm.h
index bcb3b34c3379835c06a9529a3094f7f4f193e0e2..2596350e52dc8096590c8278f4583ca0ec68f77f 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.h
+++ b/src/gromacs/nbnxm/nbnxm.h
@@ -358,14 +358,18 @@ public:
                                       bool useGpuFPmeReduction,
                                       bool accumulateForce);
 
-    /*! \brief Outer body of function to perform initialization for F buffer operations on GPU.
+    /*! \brief Get the number of atoms for a given locality
      *
-     * \param localReductionDone     Pointer to an event synchronizer that marks the completion of the local f buffer ops kernel.
+     * \param [in] locality   Local or non-local
+     * \returns               The number of atoms for given locality
      */
-    void atomdata_init_add_nbat_f_to_f_gpu(GpuEventSynchronizer* localReductionDone);
+    int getNumAtoms(gmx::AtomLocality locality);
 
-    /*! \brief return GPU pointer to f in rvec format */
-    void* get_gpu_frvec();
+    /*! \brief Get the pointer to the GPU nonbonded force buffer
+     *
+     * \returns A pointer to the force buffer in GPU memory
+     */
+    void* getGpuForces();
 
     //! Return the kernel setup
     const Nbnxm::KernelSetup& kernelSetup() const { return kernelSetup_; }