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38 * Data types used internally in the nbnxm_sycl module.
40 * \ingroup module_nbnxm
43 #ifndef NBNXM_SYCL_TYPES_H
44 #define NBNXM_SYCL_TYPES_H
46 #include "gromacs/gpu_utils/devicebuffer.h"
47 #include "gromacs/gpu_utils/devicebuffer_sycl.h"
48 #include "gromacs/gpu_utils/gmxsycl.h"
49 #include "gromacs/gpu_utils/gpueventsynchronizer_sycl.h"
50 #include "gromacs/gpu_utils/gputraits.h"
51 #include "gromacs/gpu_utils/syclutils.h"
52 #include "gromacs/nbnxm/gpu_types_common.h"
53 #include "gromacs/nbnxm/nbnxm.h"
54 #include "gromacs/nbnxm/pairlist.h"
55 #include "gromacs/timing/gpu_timing.h"
56 #include "gromacs/utility/enumerationhelpers.h"
58 class GpuEventSynchronizer;
61 * \brief Main data structure for SYCL nonbonded force calculations.
65 /*! \brief GPU device context.
67 * \todo Make it constant reference, once NbnxmGpu is a proper class.
69 const DeviceContext* deviceContext_;
70 /*! \brief true if doing both local/non-local NB work on GPU */
71 bool bUseTwoStreams = false;
72 /*! \brief true indicates that the nonlocal_done event was marked */
73 bool bNonLocalStreamDoneMarked = false;
74 /*! \brief atom data */
75 NBAtomData* atdat = nullptr;
77 NBParamGpu* nbparam = nullptr;
78 /*! \brief pair-list data structures (local and non-local) */
79 gmx::EnumerationArray<Nbnxm::InteractionLocality, Nbnxm::gpu_plist*> plist = { { nullptr } };
80 /*! \brief staging area where fshift/energies get downloaded. Will be removed in SYCL. */
82 /*! \brief local and non-local GPU streams */
83 gmx::EnumerationArray<Nbnxm::InteractionLocality, const DeviceStream*> deviceStreams;
85 /*! \brief True if event-based timing is enabled. Always false for SYCL. */
87 /*! \brief Dummy timers. */
88 Nbnxm::GpuTimers* timers = nullptr;
89 /*! \brief Dummy timing data. */
90 gmx_wallclock_gpu_nbnxn_t* timings = nullptr;
92 //! true when a pair-list transfer has been done at this step
93 gmx::EnumerationArray<Nbnxm::InteractionLocality, bool> didPairlistH2D = { { false } };
94 //! true when we we did pruning on this step
95 gmx::EnumerationArray<Nbnxm::InteractionLocality, bool> didPrune = { { false } };
96 //! true when we did rolling pruning (at the previous step)
97 gmx::EnumerationArray<Nbnxm::InteractionLocality, bool> didRollingPrune = { { false } };
99 /*! \brief Event triggered when the non-local non-bonded
100 * kernel is done (and the local transfer can proceed) */
101 GpuEventSynchronizer nonlocal_done;
102 /*! \brief Event triggered when the tasks issued in the local
103 * stream that need to precede the non-local force or buffer
104 * operation calculations are done (e.g. f buffer 0-ing, local
105 * x/q H2D, buffer op initialization in local stream that is
106 * required also by nonlocal stream ) */
107 GpuEventSynchronizer misc_ops_and_local_H2D_done;
109 /*! \brief True if there is work for the current domain in the
110 * respective locality.
112 * This includes local/nonlocal GPU work, either bonded or
113 * nonbonded, scheduled to be executed in the current
114 * domain. As long as bonded work is not split up into
115 * local/nonlocal, if there is bonded GPU work, both flags
117 gmx::EnumerationArray<Nbnxm::InteractionLocality, bool> haveWork = { { false } };
119 /*! \brief Pointer to event synchronizer triggered when the local
120 * GPU buffer ops / reduction is complete. Would be deprecated in SYCL.
122 * \note That the synchronizer is managed outside of this module
123 * in StatePropagatorDataGpu.
125 GpuEventSynchronizer* localFReductionDone = nullptr;
128 #endif /* NBNXM_SYCL_TYPES_H */