src/gromacs/gpu_utils/gpu_utils.h

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  37 /*! \libinternal \file
  38  *  \brief Declare functions for detection and initialization for GPU devices.
  39  *
  40  *  \author Szilard Pall <pall.szilard@gmail.com>
  41  *  \author Mark Abraham <mark.j.abraham@gmail.com>
  42  *
  43  *  \inlibraryapi
  44  */
  45 #ifndef GMX_GPU_UTILS_GPU_UTILS_H
  46 #define GMX_GPU_UTILS_GPU_UTILS_H
  47
  48 #include <cstdio>
  49
  50 #include "gromacs/gpu_utils/gpu_macros.h"
  51 #include "gromacs/utility/basedefinitions.h"
  52
  53 struct gmx_gpu_info_t;
  54 struct gmx_gpu_opt_t;
  55
  56 namespace gmx
  57 {
  58 class MDLogger;
  59 }
  60
  61 /*! \brief Detect all GPUs in the system.
  62  *
  63  *  Will detect every GPU supported by the device driver in use. Also
  64  *  check for the compatibility of each and fill the gpu_info->gpu_dev array
  65  *  with the required information on each the device: ID, device properties,
  66  *  status.
  67  *
  68  *  \param[in] gpu_info    pointer to structure holding GPU information.
  69  *  \param[out] err_str    The error message of any GPU API error that caused
  70  *                         the detection to fail (if there was any). The memory
  71  *                         the pointer points to should be managed externally.
  72  *  \returns               non-zero if the detection encountered a failure, zero otherwise.
  73  */
  74 GPU_FUNC_QUALIFIER
  75 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)
  76
  77 /*! \brief Return compatibility status of GPU with given \c index.
  78  *
  79  * \param[in]   gpu_info    pointer to structure holding GPU information
  80  * \param[in]   index       index of GPU to ask about
  81  * \returns                 A e_gpu_detect_res_t value describing the status
  82  */
  83 GPU_FUNC_QUALIFIER
  84 int getGpuCompatibilityStatus(const gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info),
  85                               int GPU_FUNC_ARGUMENT(index)) GPU_FUNC_TERM_WITH_RETURN(-1)
  86
  87 /*! \brief Frees the gpu_dev and dev_use array fields of \p gpu_info.
  88  *
  89  * \param[in]    gpu_info    pointer to structure holding GPU information
  90  */
  91 GPU_FUNC_QUALIFIER
  92 void free_gpu_info(const struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info)) GPU_FUNC_TERM
  93
  94 /*! \brief Initializes the GPU with the given index.
  95  *
  96  * The varible \p mygpu is the index of the GPU to initialize in the
  97  * gpu_info.gpu_dev array.
  98  *
  99  * \param      mdlog        log file to write to
 100  * \param[in]  mygpu        index of the GPU to initialize
 101  * \param[out] result_str   the message related to the error that occurred
 102  *                          during the initialization (if there was any).
 103  * \param[in] gpu_info      GPU info of all detected devices in the system.
 104  * \param[in] gpu_opt       options for using the GPUs in gpu_info
 105  * \returns                 true if no error occurs during initialization.
 106  */
 107 GPU_FUNC_QUALIFIER
 108 gmx_bool init_gpu(const gmx::MDLogger &GPU_FUNC_ARGUMENT(mdlog),
 109                   int GPU_FUNC_ARGUMENT(mygpu),
 110                   char *GPU_FUNC_ARGUMENT(result_str),
 111                   const struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info),
 112                   const gmx_gpu_opt_t *GPU_FUNC_ARGUMENT(gpu_opt)) GPU_FUNC_TERM_WITH_RETURN(-1)
 113
 114 /*! \brief Frees up the CUDA GPU used by the active context at the time of calling.
 115  *
 116  * The context is explicitly destroyed and therefore all data uploaded to the GPU
 117  * is lost. This should only be called when none of this data is required anymore.
 118  *
 119  * \param[in]  mygpu        index of the GPU clean up for
 120  * \param[out] result_str   the message related to the error that occurred
 121  *                          during the initialization (if there was any).
 122  * \param[in] gpu_info      GPU info of all detected devices in the system.
 123  * \param[in] gpu_opt       options for using the GPUs in gpu_info
 124  * \returns                 true if no error occurs during the freeing.
 125  */
 126 CUDA_FUNC_QUALIFIER
 127 gmx_bool free_cuda_gpu(int CUDA_FUNC_ARGUMENT(mygpu),
 128                        char *CUDA_FUNC_ARGUMENT(result_str),
 129                        const gmx_gpu_info_t *CUDA_FUNC_ARGUMENT(gpu_info),
 130                        const gmx_gpu_opt_t *CUDA_FUNC_ARGUMENT(gpu_opt)) CUDA_FUNC_TERM_WITH_RETURN(TRUE)
 131
 132 /*! \brief Returns the device ID of the CUDA GPU currently in use.
 133  *
 134  * The GPU used is the one that is active at the time of the call in the active context.
 135  *
 136  * \returns                 device ID of the GPU in use at the time of the call
 137  */
 138 CUDA_FUNC_QUALIFIER
 139 int get_current_cuda_gpu_device_id(void) CUDA_FUNC_TERM_WITH_RETURN(-1)
 140
 141 /*! \brief Returns an identifier for the GPU with a given index into the array of used GPUs.
 142  *
 143  * Getter function which, given an index into the array of GPUs in use
 144  * (dev_use) -- typically an MPI rank --, returns an identifier of the
 145  * respective GPU.
 146  *
 147  * \param[in]    gpu_info   Pointer to structure holding GPU information
 148  * \param[in]    gpu_opt    Pointer to structure holding GPU options
 149  * \param[in]    idx        Index into the array of used GPUs
 150  * \returns                 device ID of the requested GPU
 151  */
 152 GPU_FUNC_QUALIFIER
 153 int get_gpu_device_id(const struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info),
 154                       const gmx_gpu_opt_t *GPU_FUNC_ARGUMENT(gpu_opt),
 155                       int GPU_FUNC_ARGUMENT(idx)) GPU_FUNC_TERM_WITH_RETURN(-1)
 156
 157 /*! \brief Returns the name for the OpenCL GPU with a given index into the array of used GPUs.
 158  *
 159  * Getter function which, given an index into the array of GPUs in use
 160  * (dev_use) -- typically a tMPI/MPI rank --, returns the device name for the
 161  * respective OpenCL GPU.
 162  *
 163  * \param[in]    gpu_info   Pointer to structure holding GPU information
 164  * \param[in]    gpu_opt    Pointer to structure holding GPU options
 165  * \param[in]    idx        Index into the array of used GPUs
 166  * \returns                 A string with the name of the requested OpenCL GPU
 167  */
 168 OPENCL_FUNC_QUALIFIER
 169 char* get_ocl_gpu_device_name(const struct gmx_gpu_info_t *OPENCL_FUNC_ARGUMENT(gpu_info),
 170                               const gmx_gpu_opt_t  *OPENCL_FUNC_ARGUMENT(gpu_opt),
 171                               int                  OPENCL_FUNC_ARGUMENT(idx)) OPENCL_FUNC_TERM_WITH_RETURN(NULL)
 172
 173 /*! \brief Formats and returns a device information string for a given GPU.
 174  *
 175  * Given an index *directly* into the array of available GPUs (gpu_dev)
 176  * returns a formatted info string for the respective GPU which includes
 177  * ID, name, compute capability, and detection status.
 178  *
 179  * \param[out]  s           pointer to output string (has to be allocated externally)
 180  * \param[in]   gpu_info    pointer to structure holding GPU information
 181  * \param[in]   index       an index *directly* into the array of available GPUs
 182  */
 183 GPU_FUNC_QUALIFIER
 184 void get_gpu_device_info_string(char *GPU_FUNC_ARGUMENT(s),
 185                                 const struct gmx_gpu_info_t *GPU_FUNC_ARGUMENT(gpu_info),
 186                                 int GPU_FUNC_ARGUMENT(index)) GPU_FUNC_TERM
 187
 188 /*! \brief Returns the size of the gpu_dev_info struct.
 189  *
 190  * The size of gpu_dev_info can be used for allocation and communication.
 191  *
 192  * \returns                 size in bytes of gpu_dev_info
 193  */
 194 GPU_FUNC_QUALIFIER
 195 size_t sizeof_gpu_dev_info(void) GPU_FUNC_TERM_WITH_RETURN(0)
 196
 197 /*! \brief Returns a pointer *ptr to page-locked memory of size nbytes.
 198  *
 199  * The allocated memory is suitable to be used for data transfers between host
 200  * and GPU.
 201  * Error handling should be done within this function.
 202  */
 203 typedef void gmx_host_alloc_t (void **ptr, size_t nbytes);
 204
 205 /*! \brief Frees page-locked memory pointed to by *ptr.
 206  *
 207  * NULL should not be passed to this function.
 208  */
 209 typedef void gmx_host_free_t (void *ptr);
 210
 211 /*! \brief Set page-locked memory allocation functions used by the GPU host. */
 212 void gpu_set_host_malloc_and_free(bool               bUseGpuKernels,
 213                                   gmx_host_alloc_t **nb_alloc,
 214                                   gmx_host_free_t  **nb_free);
 215
 216
 217
 218 /*! \brief Starts the GPU profiler if mdrun is being profiled.
 219  *
 220  *  When a profiler run is in progress (based on the presence of the NVPROF_ID
 221  *  env. var.), the profiler is started to begin collecting data during the
 222  *  rest of the run (or until stopGpuProfiler is called).
 223  *
 224  *  Note that this is implemented only for the CUDA API.
 225  */
 226 CUDA_FUNC_QUALIFIER
 227 void startGpuProfiler(void) CUDA_FUNC_TERM
 228
 229
 230 /*! \brief Resets the GPU profiler if mdrun is being profiled.
 231  *
 232  * When a profiler run is in progress (based on the presence of the NVPROF_ID
 233  * env. var.), the profiler data is restet in order to eliminate the data collected
 234  * from the preceding part fo the run.
 235  *
 236  * This function should typically be called at the mdrun counter reset time.
 237  *
 238  * Note that this is implemented only for the CUDA API.
 239  */
 240 CUDA_FUNC_QUALIFIER
 241 void resetGpuProfiler(void) CUDA_FUNC_TERM
 242
 243
 244 /*! \brief Stops the CUDA profiler if mdrun is being profiled.
 245  *
 246  *  This function can be called at cleanup when skipping recording
 247  *  recording subsequent API calls from being traces/profiled is desired,
 248  *  e.g. before uninitialization.
 249  *
 250  *  Note that this is implemented only for the CUDA API.
 251  */
 252 CUDA_FUNC_QUALIFIER
 253 void stopGpuProfiler(void) CUDA_FUNC_TERM
 254
 255
 256 #endif