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38 * Common code for GPU buffer operations, namely the coordinate layout conversion
40 * \ingroup module_nbnxm
46 #include "gromacs/gpu_utils/device_stream.h"
47 #include "gromacs/gpu_utils/gpueventsynchronizer.h"
48 #include "gromacs/mdtypes/locality.h"
49 #include "gromacs/nbnxm/gridset.h"
50 #include "gromacs/nbnxm/nbnxm_gpu.h"
51 #include "gromacs/nbnxm/nbnxm_gpu_buffer_ops_internal.h"
53 # include "gromacs/nbnxm/cuda/nbnxm_cuda_types.h"
55 # include "gromacs/nbnxm/opencl/nbnxm_ocl_types.h"
57 # include "gromacs/nbnxm/sycl/nbnxm_sycl_types.h"
59 #include "gromacs/utility/exceptions.h"
64 void nbnxn_gpu_x_to_nbat_x(const Nbnxm::Grid& grid,
66 DeviceBuffer<gmx::RVec> d_x,
67 GpuEventSynchronizer* xReadyOnDevice,
68 const gmx::AtomLocality locality,
71 bool mustInsertNonLocalDependency)
73 GMX_ASSERT(bool(GMX_GPU_CUDA) || bool(GMX_GPU_SYCL),
74 "NBNXM X buffer operations only supported in CUDA and SYCL");
75 GMX_ASSERT(nb, "Need a valid nbnxn_gpu object");
76 gmx::InteractionLocality interactionLoc = gmx::atomToInteractionLocality(locality);
78 const DeviceStream& deviceStream = *nb->deviceStreams[interactionLoc];
80 const int numAtoms = grid.srcAtomEnd() - grid.srcAtomBegin();
82 // Only insert wait on the first iteration of the loop.
83 if (xReadyOnDevice != nullptr)
85 xReadyOnDevice->enqueueWaitEvent(deviceStream);
88 // avoid empty kernel launch, skip to inserting stream dependency
91 GMX_ASSERT(d_x, "Need a valid device pointer");
92 launchNbnxmKernelTransformXToXq(grid, nb, d_x, deviceStream, numColumnsMax, gridId);
95 if (mustInsertNonLocalDependency)
97 Nbnxm::nbnxnInsertNonlocalGpuDependency(nb, interactionLoc);