Unify nbnxn_gpu_init_x_to_nbat_x

[alexxy/gromacs.git] / src / gromacs / nbnxm / cuda / nbnxm_cuda_data_mgmt.cu

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu
index 274f40448f256004dfe08cf223f67c70f9db78c3..be674962d6c97edaa4daefa4f3cc5a502bbaee6a 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu
@@ -228,111 +228,4 @@ DeviceBuffer<gmx::RVec> gpu_get_fshift(NbnxmGpu* nb)
     return reinterpret_cast<DeviceBuffer<gmx::RVec>>(nb->atdat->fShift);
 }
 
-/* Initialization for X buffer operations on GPU. */
-/* TODO  Remove explicit pinning from host arrays from here and manage in a more natural way*/
-void nbnxn_gpu_init_x_to_nbat_x(const Nbnxm::GridSet& gridSet, NbnxmGpu* gpu_nbv)
-{
-    const DeviceStream& localStream   = *gpu_nbv->deviceStreams[InteractionLocality::Local];
-    bool                bDoTime       = gpu_nbv->bDoTime;
-    const int           maxNumColumns = gridSet.numColumnsMax();
-
-    reallocateDeviceBuffer(&gpu_nbv->cxy_na,
-                           maxNumColumns * gridSet.grids().size(),
-                           &gpu_nbv->ncxy_na,
-                           &gpu_nbv->ncxy_na_alloc,
-                           *gpu_nbv->deviceContext_);
-    reallocateDeviceBuffer(&gpu_nbv->cxy_ind,
-                           maxNumColumns * gridSet.grids().size(),
-                           &gpu_nbv->ncxy_ind,
-                           &gpu_nbv->ncxy_ind_alloc,
-                           *gpu_nbv->deviceContext_);
-
-    for (unsigned int g = 0; g < gridSet.grids().size(); g++)
-    {
-
-        const Nbnxm::Grid& grid = gridSet.grids()[g];
-
-        const int  numColumns      = grid.numColumns();
-        const int* atomIndices     = gridSet.atomIndices().data();
-        const int  atomIndicesSize = gridSet.atomIndices().size();
-        const int* cxy_na          = grid.cxy_na().data();
-        const int* cxy_ind         = grid.cxy_ind().data();
-
-        reallocateDeviceBuffer(&gpu_nbv->atomIndices,
-                               atomIndicesSize,
-                               &gpu_nbv->atomIndicesSize,
-                               &gpu_nbv->atomIndicesSize_alloc,
-                               *gpu_nbv->deviceContext_);
-
-        if (atomIndicesSize > 0)
-        {
-
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.openTimingRegion(localStream);
-            }
-
-            copyToDeviceBuffer(&gpu_nbv->atomIndices,
-                               atomIndices,
-                               0,
-                               atomIndicesSize,
-                               localStream,
-                               GpuApiCallBehavior::Async,
-                               nullptr);
-
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.closeTimingRegion(localStream);
-            }
-        }
-
-        if (numColumns > 0)
-        {
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.openTimingRegion(localStream);
-            }
-
-            int* destPtr = &gpu_nbv->cxy_na[maxNumColumns * g];
-            copyToDeviceBuffer(
-                    &destPtr, cxy_na, 0, numColumns, localStream, GpuApiCallBehavior::Async, nullptr);
-
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.closeTimingRegion(localStream);
-            }
-
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.openTimingRegion(localStream);
-            }
-
-            destPtr = &gpu_nbv->cxy_ind[maxNumColumns * g];
-            copyToDeviceBuffer(
-                    &destPtr, cxy_ind, 0, numColumns, localStream, GpuApiCallBehavior::Async, nullptr);
-
-            if (bDoTime)
-            {
-                gpu_nbv->timers->xf[AtomLocality::Local].nb_h2d.closeTimingRegion(localStream);
-            }
-        }
-    }
-
-    if (gpu_nbv->bUseTwoStreams)
-    {
-        // The above data is transferred on the local stream but is a
-        // dependency of the nonlocal stream (specifically the nonlocal X
-        // buf ops kernel).  We therefore set a dependency to ensure
-        // that the nonlocal stream waits on the local stream here.
-        // This call records an event in the local stream:
-        gpu_nbv->misc_ops_and_local_H2D_done.markEvent(
-                *gpu_nbv->deviceStreams[Nbnxm::InteractionLocality::Local]);
-        // ...and this call instructs the nonlocal stream to wait on that event:
-        gpu_nbv->misc_ops_and_local_H2D_done.enqueueWaitEvent(
-                *gpu_nbv->deviceStreams[Nbnxm::InteractionLocality::NonLocal]);
-    }
-
-    return;
-}
-
 } // namespace Nbnxm