/* * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 2012,2014,2015,2016,2017 by the GROMACS development team. * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. * * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * GROMACS is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU * Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public * License along with GROMACS; if not, see * http://www.gnu.org/licenses, or write to the Free Software Foundation, * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * * If you want to redistribute modifications to GROMACS, please * consider that scientific software is very special. Version * control is crucial - bugs must be traceable. We will be happy to * consider code for inclusion in the official distribution, but * derived work must not be called official GROMACS. Details are found * in the README & COPYING files - if they are missing, get the * official version at http://www.gromacs.org. * * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef GMX_GPU_UTILS_CUDAUTILS_CUH #define GMX_GPU_UTILS_CUDAUTILS_CUH #include #include #include #include #include "gromacs/gpu_utils/device_stream.h" #include "gromacs/gpu_utils/gputraits.cuh" #include "gromacs/math/vec.h" #include "gromacs/math/vectypes.h" #include "gromacs/utility/exceptions.h" #include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxassert.h" #include "gromacs/utility/stringutil.h" namespace gmx { namespace { /*! \brief Add the API information on the specific error to the error message. * * \param[in] deviceError The error to assert cudaSuccess on. * * \returns A description of the API error. Returns '(CUDA error #0 (cudaSuccess): no error)' in case deviceError is cudaSuccess. */ inline std::string getDeviceErrorString(const cudaError_t deviceError) { return formatString("CUDA error #%d (%s): %s.", deviceError, cudaGetErrorName(deviceError), cudaGetErrorString(deviceError)); } /*! \brief Check if API returned an error and throw an exception with information on it. * * \param[in] deviceError The error to assert cudaSuccess on. * \param[in] errorMessage Undecorated error message. * * \throws InternalError if deviceError is not a success. */ inline void checkDeviceError(const cudaError_t deviceError, const std::string& errorMessage) { if (deviceError != cudaSuccess) { GMX_THROW(gmx::InternalError(errorMessage + " " + getDeviceErrorString(deviceError))); } } /*! \brief Helper function to ensure no pending error silently * disrupts error handling. * * Asserts in a debug build if an unhandled error is present. Issues a * warning at run time otherwise. * * \param[in] errorMessage Undecorated error message. */ inline void ensureNoPendingDeviceError(const std::string& errorMessage) { // Ensure there is no pending error that would otherwise affect // the behaviour of future error handling. cudaError_t deviceError = cudaGetLastError(); if (deviceError == cudaSuccess) { return; } // If we would find an error in a release build, we do not know // what is appropriate to do about it, so assert only for debug // builds. const std::string fullErrorMessage = errorMessage + " An unhandled error from a previous CUDA operation was detected. " + gmx::getDeviceErrorString(deviceError); GMX_ASSERT(deviceError == cudaSuccess, fullErrorMessage.c_str()); // TODO When we evolve a better logging framework, use that // for release-build error reporting. gmx_warning("%s", fullErrorMessage.c_str()); } } // namespace } // namespace gmx enum class GpuApiCallBehavior; /* TODO error checking needs to be rewritten. We have 2 types of error checks needed based on where they occur in the code: - non performance-critical: these errors are unsafe to be ignored and must be _always_ checked for, e.g. initializations - performance critical: handling errors might hurt performance so care need to be taken when/if we should check for them at all, e.g. in cu_upload_X. However, we should be able to turn the check for these errors on! Probably we'll need two sets of the macros below... */ #define CHECK_CUDA_ERRORS #ifdef CHECK_CUDA_ERRORS /*! Check for CUDA error on the return status of a CUDA RT API call. */ # define CU_RET_ERR(deviceError, msg) \ do \ { \ if ((deviceError) != cudaSuccess) \ { \ gmx_fatal(FARGS, "%s\n", ((msg) + gmx::getDeviceErrorString(deviceError)).c_str()); \ } \ } while (0) #else /* CHECK_CUDA_ERRORS */ # define CU_RET_ERR(status, msg) \ do \ { \ } while (0) #endif /* CHECK_CUDA_ERRORS */ // TODO: the 2 functions below are pretty much a constructor/destructor of a simple // GPU table object. There is also almost self-contained fetchFromParamLookupTable() // in cuda_kernel_utils.cuh. They could all live in a separate class/struct file. /*! \brief Add a triplets stored in a float3 to an rvec variable. * * \param[out] a Rvec to increment * \param[in] b Float triplet to increment with. */ static inline void rvec_inc(rvec a, const float3 b) { rvec tmp = { b.x, b.y, b.z }; rvec_inc(a, tmp); } /*! \brief Returns true if all tasks in \p s have completed. * * \param[in] deviceStream CUDA stream to check. * * \returns True if all tasks enqueued in the stream \p deviceStream (at the time of this call) have completed. */ static inline bool haveStreamTasksCompleted(const DeviceStream& deviceStream) { cudaError_t stat = cudaStreamQuery(deviceStream.stream()); if (stat == cudaErrorNotReady) { // work is still in progress in the stream return false; } GMX_ASSERT(stat != cudaErrorInvalidResourceHandle, ("Stream identifier not valid. " + gmx::getDeviceErrorString(stat)).c_str()); // cudaSuccess and cudaErrorNotReady are the expected return values CU_RET_ERR(stat, "Unexpected cudaStreamQuery failure. "); GMX_ASSERT(stat == cudaSuccess, ("Values other than cudaSuccess should have been explicitly handled. " + gmx::getDeviceErrorString(stat)) .c_str()); return true; } /* Kernel launch helpers */ /*! \brief * A function for setting up a single CUDA kernel argument. * This is the tail of the compile-time recursive function below. * It has to be seen by the compiler first. * * \tparam totalArgsCount Number of the kernel arguments * \tparam KernelPtr Kernel function handle type * \param[in] argIndex Index of the current argument */ template void prepareGpuKernelArgument(KernelPtr /*kernel*/, std::array* /* kernelArgsPtr */, size_t gmx_used_in_debug argIndex) { GMX_ASSERT(argIndex == totalArgsCount, "Tail expansion"); } /*! \brief * Compile-time recursive function for setting up a single CUDA kernel argument. * This function copies a kernel argument pointer \p argPtr into \p kernelArgsPtr, * and calls itself on the next argument, eventually calling the tail function above. * * \tparam CurrentArg Type of the current argument * \tparam RemainingArgs Types of remaining arguments after the current one * \tparam totalArgsCount Number of the kernel arguments * \tparam KernelPtr Kernel function handle type * \param[in] kernel Kernel function handle * \param[in,out] kernelArgsPtr Pointer to the argument array to be filled in * \param[in] argIndex Index of the current argument * \param[in] argPtr Pointer to the current argument * \param[in] otherArgsPtrs Pack of pointers to arguments remaining to process after the current one */ template void prepareGpuKernelArgument(KernelPtr kernel, std::array* kernelArgsPtr, size_t argIndex, const CurrentArg* argPtr, const RemainingArgs*... otherArgsPtrs) { (*kernelArgsPtr)[argIndex] = const_cast(static_cast(argPtr)); prepareGpuKernelArgument(kernel, kernelArgsPtr, argIndex + 1, otherArgsPtrs...); } /*! \brief * A wrapper function for setting up all the CUDA kernel arguments. * Calls the recursive functions above. * * \tparam KernelPtr Kernel function handle type * \tparam Args Types of all the kernel arguments * \param[in] kernel Kernel function handle * \param[in] argsPtrs Pointers to all the kernel arguments * \returns A prepared parameter pack to be used with launchGpuKernel() as the last argument. */ template std::array prepareGpuKernelArguments(KernelPtr kernel, const KernelLaunchConfig& /*config */, const Args*... argsPtrs) { std::array kernelArgs; prepareGpuKernelArgument(kernel, &kernelArgs, 0, argsPtrs...); return kernelArgs; } /*! \brief Launches the CUDA kernel and handles the errors. * * \tparam Args Types of all the kernel arguments * \param[in] kernel Kernel function handle * \param[in] config Kernel configuration for launching * \param[in] deviceStream GPU stream to launch kernel in * \param[in] kernelName Human readable kernel description, for error handling only * \param[in] kernelArgs Array of the pointers to the kernel arguments, prepared by * prepareGpuKernelArguments() * \throws gmx::InternalError on kernel launch failure */ template void launchGpuKernel(void (*kernel)(Args...), const KernelLaunchConfig& config, const DeviceStream& deviceStream, CommandEvent* /*timingEvent */, const char* kernelName, const std::array& kernelArgs) { dim3 blockSize(config.blockSize[0], config.blockSize[1], config.blockSize[2]); dim3 gridSize(config.gridSize[0], config.gridSize[1], config.gridSize[2]); cudaLaunchKernel(reinterpret_cast(kernel), gridSize, blockSize, const_cast(kernelArgs.data()), config.sharedMemorySize, deviceStream.stream()); gmx::ensureNoPendingDeviceError("GPU kernel (" + std::string(kernelName) + ") failed to launch."); } #endif