src/gromacs/gpu_utils/gpu_utils.cpp

   1 /*
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   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \internal \file
  36  *  \brief Function definitions for non-GPU builds
  37  *
  38  *  \author Mark Abraham <mark.j.abraham@gmail.com>
  39  */
  40 #include "gmxpre.h"
  41
  42 #include "gpu_utils.h"
  43
  44 #include "config.h"
  45
  46 #include <cassert>
  47
  48 #include "gromacs/hardware/gpu_hw_info.h"
  49 #include "gromacs/utility/arrayref.h"
  50 #include "gromacs/utility/smalloc.h"
  51 #include "gromacs/utility/stringutil.h"
  52
  53 #ifdef _MSC_VER
  54 #    pragma warning(disable : 6237)
  55 #endif
  56
  57 //! Constant used to help minimize preprocessed code
  58 static constexpr bool c_binarySupportsGpus = (GMX_GPU != GMX_GPU_NONE);
  59
  60 bool canPerformGpuDetection()
  61 {
  62     if (c_binarySupportsGpus && getenv("GMX_DISABLE_GPU_DETECTION") == nullptr)
  63     {
  64         return isGpuDetectionFunctional(nullptr);
  65     }
  66     else
  67     {
  68         return false;
  69     }
  70 }
  71
  72 #if GMX_GPU == GMX_GPU_NONE
  73 int gpu_info_get_stat(const gmx_gpu_info_t& /*unused*/, int /*unused*/)
  74 {
  75     return egpuNonexistent;
  76 }
  77 #endif
  78
  79 void free_gpu_info(const gmx_gpu_info_t* gpu_info)
  80 {
  81     sfree(static_cast<void*>(gpu_info->deviceInfo)); // circumvent is_pod check in sfree
  82 }
  83
  84 std::vector<int> getCompatibleGpus(const gmx_gpu_info_t& gpu_info)
  85 {
  86     // Possible minor over-allocation here, but not important for anything
  87     std::vector<int> compatibleGpus;
  88     compatibleGpus.reserve(gpu_info.n_dev);
  89     for (int i = 0; i < gpu_info.n_dev; i++)
  90     {
  91         assert(gpu_info.deviceInfo);
  92         if (gpu_info_get_stat(gpu_info, i) == egpuCompatible)
  93         {
  94             compatibleGpus.push_back(i);
  95         }
  96     }
  97     return compatibleGpus;
  98 }
  99
 100 const char* getGpuCompatibilityDescription(const gmx_gpu_info_t& gpu_info, int index)
 101 {
 102     return (index >= gpu_info.n_dev ? gpu_detect_res_str[egpuNonexistent]
 103                                     : gpu_detect_res_str[gpu_info_get_stat(gpu_info, index)]);
 104 }
 105 /*! \brief Help build a descriptive message in \c error if there are
 106  * \c errorReasons why nonbondeds on a GPU are not supported.
 107  *
 108  * \returns Whether the lack of errorReasons indicate there is support. */
 109 static bool addMessageIfNotSupported(gmx::ArrayRef<const std::string> errorReasons, std::string* error)
 110 {
 111     bool isSupported = errorReasons.empty();
 112     if (!isSupported && error)
 113     {
 114         *error = "Nonbonded interactions cannot run on GPUs: ";
 115         *error += joinStrings(errorReasons, "; ") + ".";
 116     }
 117     return isSupported;
 118 }
 119
 120 bool buildSupportsNonbondedOnGpu(std::string* error)
 121 {
 122     std::vector<std::string> errorReasons;
 123     if (GMX_DOUBLE)
 124     {
 125         errorReasons.emplace_back("double precision");
 126     }
 127     if (!c_binarySupportsGpus)
 128     {
 129         errorReasons.emplace_back("non-GPU build of GROMACS");
 130     }
 131     return addMessageIfNotSupported(errorReasons, error);
 132 }