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37 /*! \libinternal \file
38 * \brief Declare functions for detection and initialization for GPU devices.
40 * \author Szilard Pall <pall.szilard@gmail.com>
41 * \author Mark Abraham <mark.j.abraham@gmail.com>
45 #ifndef GMX_GPU_UTILS_GPU_UTILS_H
46 #define GMX_GPU_UTILS_GPU_UTILS_H
52 #include "gromacs/gpu_utils/gpu_macros.h"
53 #include "gromacs/utility/basedefinitions.h"
55 struct gmx_device_info_t;
56 struct gmx_gpu_info_t;
63 //! Enum which is only used to describe transfer calls at the moment
64 enum class GpuApiCallBehavior
70 /*! \brief Detect all GPUs in the system.
72 * Will detect every GPU supported by the device driver in use. Also
73 * check for the compatibility of each and fill the gpu_info->gpu_dev array
74 * with the required information on each the device: ID, device properties,
77 * \param[in] gpu_info pointer to structure holding GPU information.
78 * \param[out] err_str The error message of any GPU API error that caused
79 * the detection to fail (if there was any). The memory
80 * the pointer points to should be managed externally.
81 * \returns non-zero if the detection encountered a failure, zero otherwise.
84 int detect_gpus(struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info), char *GPU_FUNC_ARGUMENT(err_str)) GPU_FUNC_TERM_WITH_RETURN(-1)
86 /*! \brief Return a container of the detected GPUs that are compatible.
88 * This function filters the result of the detection for compatible
89 * GPUs, based on the previously run compatibility tests.
91 * \param[in] gpu_info Information detected about GPUs, including compatibility.
92 * \return vector of IDs of GPUs already recorded as compatible */
93 std::vector<int> getCompatibleGpus(const gmx_gpu_info_t &gpu_info);
95 /*! \brief Return a string describing how compatible the GPU with given \c index is.
97 * \param[in] gpu_info Information about detected GPUs
98 * \param[in] index index of GPU to ask about
99 * \returns A null-terminated C string describing the compatibility status, useful for error messages.
101 const char *getGpuCompatibilityDescription(const gmx_gpu_info_t &GPU_FUNC_ARGUMENT(gpu_info),
102 int GPU_FUNC_ARGUMENT(index));
104 /*! \brief Frees the gpu_dev and dev_use array fields of \p gpu_info.
106 * \param[in] gpu_info pointer to structure holding GPU information
109 void free_gpu_info(const struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info)) GPU_FUNC_TERM
111 /*! \brief Initializes the GPU described by \c deviceInfo.
113 * TODO Doxygen complains about these - probably a Doxygen bug, since
114 * the patterns here are the same as elsewhere in this header.
116 * param[in] mdlog log file to write to
117 * \param[inout] deviceInfo device info of the GPU to initialize
119 * Issues a fatal error for any critical errors that occur during
123 void init_gpu(const gmx::MDLogger &GPU_FUNC_ARGUMENT(mdlog),
124 gmx_device_info_t *GPU_FUNC_ARGUMENT(deviceInfo)) GPU_FUNC_TERM
126 /*! \brief Frees up the CUDA GPU used by the active context at the time of calling.
128 * If \c deviceInfo is nullptr, then it is understood that no device
129 * was selected so no context is active to be freed. Otherwise, the
130 * context is explicitly destroyed and therefore all data uploaded to
131 * the GPU is lost. This must only be called when none of this data is
132 * required anymore, because subsequent attempts to free memory
133 * associated with the context will otherwise fail.
135 * Calls gmx_warning upon errors.
137 * \param[in] deviceInfo device info of the GPU to clean up for
139 * \returns true if no error occurs during the freeing.
142 void free_gpu(const gmx_device_info_t *CUDA_FUNC_ARGUMENT(deviceInfo)) CUDA_FUNC_TERM
144 /*! \brief Return a pointer to the device info for \c deviceId
146 * \param[in] gpu_info GPU info of all detected devices in the system.
147 * \param[in] deviceId ID for the GPU device requested.
149 * \returns Pointer to the device info for \c deviceId.
152 gmx_device_info_t *getDeviceInfo(const gmx_gpu_info_t &GPU_FUNC_ARGUMENT(gpu_info),
153 int GPU_FUNC_ARGUMENT(deviceId)) GPU_FUNC_TERM_WITH_RETURN(NULL)
155 /*! \brief Returns the device ID of the CUDA GPU currently in use.
157 * The GPU used is the one that is active at the time of the call in the active context.
159 * \returns device ID of the GPU in use at the time of the call
162 int get_current_cuda_gpu_device_id(void) CUDA_FUNC_TERM_WITH_RETURN(-1)
164 /*! \brief Formats and returns a device information string for a given GPU.
166 * Given an index *directly* into the array of available GPUs (gpu_dev)
167 * returns a formatted info string for the respective GPU which includes
168 * ID, name, compute capability, and detection status.
170 * \param[out] s pointer to output string (has to be allocated externally)
171 * \param[in] gpu_info Information about detected GPUs
172 * \param[in] index an index *directly* into the array of available GPUs
175 void get_gpu_device_info_string(char *GPU_FUNC_ARGUMENT(s),
176 const struct gmx_gpu_info_t &GPU_FUNC_ARGUMENT(gpu_info),
177 int GPU_FUNC_ARGUMENT(index)) GPU_FUNC_TERM
179 /*! \brief Returns the size of the gpu_dev_info struct.
181 * The size of gpu_dev_info can be used for allocation and communication.
183 * \returns size in bytes of gpu_dev_info
186 size_t sizeof_gpu_dev_info(void) GPU_FUNC_TERM_WITH_RETURN(0)
188 /*! \brief Returns a pointer *ptr to page-locked memory of size nbytes.
190 * The allocated memory is suitable to be used for data transfers between host
192 * Error handling should be done within this function.
194 typedef void gmx_host_alloc_t (void **ptr, size_t nbytes);
196 /*! \brief Frees page-locked memory pointed to by *ptr.
198 * NULL should not be passed to this function.
200 typedef void gmx_host_free_t (void *ptr);
202 /*! \brief Set page-locked memory allocation functions used by the GPU host. */
203 void gpu_set_host_malloc_and_free(bool bUseGpuKernels,
204 gmx_host_alloc_t **nb_alloc,
205 gmx_host_free_t **nb_free);
209 /*! \brief Starts the GPU profiler if mdrun is being profiled.
211 * When a profiler run is in progress (based on the presence of the NVPROF_ID
212 * env. var.), the profiler is started to begin collecting data during the
213 * rest of the run (or until stopGpuProfiler is called).
215 * Note that this is implemented only for the CUDA API.
218 void startGpuProfiler(void) CUDA_FUNC_TERM
221 /*! \brief Resets the GPU profiler if mdrun is being profiled.
223 * When a profiler run is in progress (based on the presence of the NVPROF_ID
224 * env. var.), the profiler data is restet in order to eliminate the data collected
225 * from the preceding part fo the run.
227 * This function should typically be called at the mdrun counter reset time.
229 * Note that this is implemented only for the CUDA API.
232 void resetGpuProfiler(void) CUDA_FUNC_TERM
235 /*! \brief Stops the CUDA profiler if mdrun is being profiled.
237 * This function can be called at cleanup when skipping recording
238 * recording subsequent API calls from being traces/profiled is desired,
239 * e.g. before uninitialization.
241 * Note that this is implemented only for the CUDA API.
244 void stopGpuProfiler(void) CUDA_FUNC_TERM
246 //! Tells whether the host buffer was pinned for non-blocking transfers. Only implemented for CUDA.
248 bool isHostMemoryPinned(void *CUDA_FUNC_ARGUMENT(h_ptr)) CUDA_FUNC_TERM_WITH_RETURN(false)