src/gromacs/ewald/pme-gpu-program-impl-ocl.cpp

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  35
  36 /*! \internal \file
  37  * \brief
  38  * Implements PmeGpuProgramImpl, which stores permanent PME GPU context-derived data,
  39  * such as (compiled) kernel handles.
  40  *
  41  * \author Aleksei Iupinov <a.yupinov@gmail.com>
  42  * \ingroup module_ewald
  43  */
  44 #include "gmxpre.h"
  45
  46 #include "gromacs/gpu_utils/gmxopencl.h"
  47 #include "gromacs/gpu_utils/ocl_compiler.h"
  48 #include "gromacs/utility/stringutil.h"
  49
  50 #include "pme-gpu-constants.h"
  51 #include "pme-gpu-internal.h" // for GridOrdering enum
  52 #include "pme-gpu-program-impl.h"
  53 #include "pme-gpu-types-host.h"
  54 #include "pme-grid.h"
  55
  56 PmeGpuProgramImpl::PmeGpuProgramImpl(const gmx_device_info_t *deviceInfo)
  57 {
  58     // Context creation (which should happen outside of this class: #2522)
  59     cl_platform_id        platformId = deviceInfo->ocl_gpu_id.ocl_platform_id;
  60     cl_device_id          deviceId   = deviceInfo->ocl_gpu_id.ocl_device_id;
  61     cl_context_properties contextProperties[3];
  62     contextProperties[0] = CL_CONTEXT_PLATFORM;
  63     contextProperties[1] = reinterpret_cast<cl_context_properties>(platformId);
  64     contextProperties[2] = 0; /* Terminates the list of properties */
  65
  66     cl_int  clError;
  67     context = clCreateContext(contextProperties, 1, &deviceId, nullptr, nullptr, &clError);
  68     if (clError != CL_SUCCESS)
  69     {
  70         const std::string errorString = gmx::formatString("Failed to create context for PME on GPU #%s:\n OpenCL error %d: %s",
  71                                                           deviceInfo->device_name, clError, ocl_get_error_string(clError).c_str());
  72         GMX_THROW(gmx::InternalError(errorString));
  73     }
  74
  75     // kernel parameters
  76     warpSize            = gmx::ocl::getDeviceWarpSize(context, deviceId);
  77     // TODO: for Intel ideally we'd want to set these based on the compiler warp size
  78     // but given that we've done no tuning for Intel iGPU, this is as good as anything.
  79     spreadWorkGroupSize = std::min(c_spreadMaxWarpsPerBlock * warpSize,
  80                                    deviceInfo->maxWorkGroupSize);
  81     solveMaxWorkGroupSize = std::min(c_solveMaxWarpsPerBlock * warpSize,
  82                                      deviceInfo->maxWorkGroupSize);
  83     gatherWorkGroupSize = std::min(c_gatherMaxWarpsPerBlock * warpSize,
  84                                    deviceInfo->maxWorkGroupSize);
  85
  86     compileKernels(deviceInfo);
  87 }
  88
  89 PmeGpuProgramImpl::~PmeGpuProgramImpl()
  90 {
  91     // TODO: log releasing errors
  92     cl_int gmx_used_in_debug stat = 0;
  93     stat |= clReleaseKernel(splineAndSpreadKernel);
  94     stat |= clReleaseKernel(splineKernel);
  95     stat |= clReleaseKernel(spreadKernel);
  96     stat |= clReleaseKernel(gatherKernel);
  97     stat |= clReleaseKernel(gatherReduceWithInputKernel);
  98     stat |= clReleaseKernel(solveXYZKernel);
  99     stat |= clReleaseKernel(solveXYZEnergyKernel);
 100     stat |= clReleaseKernel(solveYZXKernel);
 101     stat |= clReleaseKernel(solveYZXEnergyKernel);
 102     stat |= clReleaseContext(context);
 103     GMX_ASSERT(stat == CL_SUCCESS, gmx::formatString("Failed to release PME OpenCL resources %d: %s",
 104                                                      stat, ocl_get_error_string(stat).c_str()).c_str());
 105 }
 106
 107 /*! \brief Ensure that spread/gather kernels have been compiled to a suitable warp size
 108  *
 109  * On Intel the exec width/warp is decided at compile-time and can be
 110  * smaller than the minimum order^2 required in spread/gather ATM which
 111  * we need to check for.
 112  */
 113 static void checkRequiredWarpSize(const cl_kernel          kernel,
 114                                   const char*              kernelName,
 115                                   const gmx_device_info_t *deviceInfo)
 116 {
 117     if (deviceInfo->vendor_e == OCL_VENDOR_INTEL)
 118     {
 119         size_t kernelWarpSize = gmx::ocl::getKernelWarpSize(kernel, deviceInfo->ocl_gpu_id.ocl_device_id);
 120
 121         if (kernelWarpSize < c_pmeSpreadGatherMinWarpSize)
 122         {
 123             const std::string errorString = gmx::formatString("PME OpenCL kernels require >=%d execution width, but the %s kernel "
 124                                                               "has been compiled for the device %s to a %zu width and therefore it can not execute correctly.",
 125                                                               c_pmeSpreadGatherMinWarpSize, kernelName,
 126                                                               deviceInfo->device_name, kernelWarpSize);
 127             GMX_THROW(gmx::InternalError(errorString));
 128         }
 129     }
 130 }
 131
 132 void PmeGpuProgramImpl::compileKernels(const gmx_device_info_t *deviceInfo)
 133 {
 134     // We might consider storing program as a member variable if it's needed later
 135     cl_program program = nullptr;
 136     /* Need to catch std::bad_alloc here and during compilation string handling. */
 137     try
 138     {
 139         /* Here we pass macros and static const int variables defined in include
 140          * files outside as macros, to avoid including those files
 141          * in the JIT compilation that happens at runtime.
 142          */
 143         constexpr int     order         = 4;
 144         const std::string commonDefines = gmx::formatString(
 145                     "-Dwarp_size=%zd "
 146                     "-Dorder=%d "
 147                     "-DPME_SPREADGATHER_ATOMS_PER_WARP=%zd "
 148                     "-DPME_SPREADGATHER_THREADS_PER_ATOM=%d "
 149                     // forwarding from pme-grid.h, used for spline computation table sizes only
 150                     "-Dc_pmeMaxUnitcellShift=%f "
 151                     // forwarding PME behavior constants from pme-gpu-constants.h
 152                     "-Dc_usePadding=%d "
 153                     "-Dc_skipNeutralAtoms=%d "
 154                     "-Dc_virialAndEnergyCount=%d "
 155                     // forwarding kernel work sizes
 156                     "-Dc_spreadWorkGroupSize=%zd "
 157                     "-Dc_solveMaxWorkGroupSize=%zd "
 158                     "-Dc_gatherWorkGroupSize=%zd "
 159                     // forwarding from vectypes.h
 160                     "-DDIM=%d -DXX=%d -DYY=%d -DZZ=%d "
 161                     // decomposition parameter placeholders
 162                     "-DwrapX=true -DwrapY=true ",
 163                     warpSize,
 164                     order,
 165                     warpSize / PME_SPREADGATHER_THREADS_PER_ATOM,
 166                     PME_SPREADGATHER_THREADS_PER_ATOM,
 167                     static_cast<float>(c_pmeMaxUnitcellShift),
 168                     c_usePadding,
 169                     c_skipNeutralAtoms,
 170                     c_virialAndEnergyCount,
 171                     spreadWorkGroupSize,
 172                     solveMaxWorkGroupSize,
 173                     gatherWorkGroupSize,
 174                     DIM, XX, YY, ZZ);
 175         try
 176         {
 177             /* TODO when we have a proper MPI-aware logging module,
 178                the log output here should be written there */
 179             program = gmx::ocl::compileProgram(stderr,
 180                                                "src/gromacs/ewald",
 181                                                "pme-program.cl",
 182                                                commonDefines,
 183                                                context,
 184                                                deviceInfo->ocl_gpu_id.ocl_device_id,
 185                                                deviceInfo->vendor_e);
 186         }
 187         catch (gmx::GromacsException &e)
 188         {
 189             e.prependContext(gmx::formatString("Failed to compile PME kernels for GPU #%s\n",
 190                                                deviceInfo->device_name));
 191             throw;
 192         }
 193     }
 194     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
 195
 196     constexpr cl_uint      expectedKernelCount = 9;
 197     // Has to be equal or larger than the number of kernel instances.
 198     // If it is not, CL_INVALID_VALUE will be thrown.
 199     std::vector<cl_kernel> kernels(expectedKernelCount, nullptr);
 200     cl_uint                actualKernelCount = 0;
 201     cl_int                 clError           = clCreateKernelsInProgram(program, kernels.size(), kernels.data(), &actualKernelCount);
 202     if (clError != CL_SUCCESS)
 203     {
 204         const std::string errorString = gmx::formatString("Failed to create kernels for PME on GPU #%s:\n OpenCL error %d: %s",
 205                                                           deviceInfo->device_name, clError, ocl_get_error_string(clError).c_str());
 206         GMX_THROW(gmx::InternalError(errorString));
 207     }
 208     kernels.resize(actualKernelCount);
 209
 210     std::array<char, 100> kernelNamesBuffer;
 211     for (const auto &kernel : kernels)
 212     {
 213         clError = clGetKernelInfo(kernel, CL_KERNEL_FUNCTION_NAME,
 214                                   kernelNamesBuffer.size(), kernelNamesBuffer.data(), nullptr);
 215         if (clError != CL_SUCCESS)
 216         {
 217             const std::string errorString = gmx::formatString("Failed to parse kernels for PME on GPU #%s:\n OpenCL error %d: %s",
 218                                                               deviceInfo->device_name, clError, ocl_get_error_string(clError).c_str());
 219             GMX_THROW(gmx::InternalError(errorString));
 220         }
 221
 222         // The names below must correspond to those defined in pme-program.cl
 223         // TODO use a map with string key instead?
 224         if (!strcmp(kernelNamesBuffer.data(), "pmeSplineKernel"))
 225         {
 226             splineKernel = kernel;
 227         }
 228         else if (!strcmp(kernelNamesBuffer.data(), "pmeSplineAndSpreadKernel"))
 229         {
 230             splineAndSpreadKernel = kernel;
 231             checkRequiredWarpSize(splineAndSpreadKernel, kernelNamesBuffer.data(), deviceInfo);
 232         }
 233         else if (!strcmp(kernelNamesBuffer.data(), "pmeSpreadKernel"))
 234         {
 235             spreadKernel = kernel;
 236             checkRequiredWarpSize(spreadKernel, kernelNamesBuffer.data(), deviceInfo);
 237         }
 238         else if (!strcmp(kernelNamesBuffer.data(), "pmeGatherKernel"))
 239         {
 240             gatherKernel = kernel;
 241             checkRequiredWarpSize(gatherKernel, kernelNamesBuffer.data(), deviceInfo);
 242         }
 243         else if (!strcmp(kernelNamesBuffer.data(), "pmeGatherReduceWithInputKernel"))
 244         {
 245             gatherReduceWithInputKernel = kernel;
 246             checkRequiredWarpSize(gatherReduceWithInputKernel, kernelNamesBuffer.data(), deviceInfo);
 247         }
 248         else if (!strcmp(kernelNamesBuffer.data(), "pmeSolveYZXKernel"))
 249         {
 250             solveYZXKernel = kernel;
 251         }
 252         else if (!strcmp(kernelNamesBuffer.data(), "pmeSolveYZXEnergyKernel"))
 253         {
 254             solveYZXEnergyKernel = kernel;
 255         }
 256         else if (!strcmp(kernelNamesBuffer.data(), "pmeSolveXYZKernel"))
 257         {
 258             solveXYZKernel = kernel;
 259         }
 260         else if (!strcmp(kernelNamesBuffer.data(), "pmeSolveXYZEnergyKernel"))
 261         {
 262             solveXYZEnergyKernel = kernel;
 263         }
 264     }
 265     clReleaseProgram(program);
 266 }