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36 * \brief Leap-Frog tests runners.
38 * Declares test runner class for Leap-Frog algorithm. The test runners abstract
39 * class is used to unify the interfaces for CPU and GPU implementations of the
40 * Leap-Frog algorithm. This allows to run the same test on the same data using
41 * different implementations of the parent class, that inherit its interfaces.
43 * \author Artem Zhmurov <zhmurov@gmail.com>
44 * \ingroup module_mdlib
46 #ifndef GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H
47 #define GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H
51 #include "gromacs/math/vec.h"
53 #include "testutils/test_device.h"
55 #include "leapfrogtestdata.h"
58 * LeapFrog is available with CUDA and SYCL.
59 * However, the use of float3 in CPU code makes it hard to compile with hipSYCL until
60 * Issue #3312 is resolved.
62 #define HAVE_GPU_LEAPFROG (GMX_GPU_CUDA || (GMX_GPU_SYCL && !GMX_SYCL_HIPSYCL))
69 /* \brief LeapFrog integrator test runner interface.
71 * Wraps the actual implementation of LeapFrog algorithm into common interface.
73 class ILeapFrogTestRunner
76 //! Virtual destructor
77 virtual ~ILeapFrogTestRunner() {}
78 /*! \brief The abstract function that runs the integrator for a given number of steps.
80 * Should be overriden.
82 * \param[in] testData Data needed for the integrator
83 * \param[in] numSteps Total number of steps to run integration for.
85 virtual void integrate(LeapFrogTestData* testData, int numSteps) = 0;
87 /*! \brief Get the human-friendly description of hardware used by the runner.
89 * \returns String with description of the hardware.
91 virtual std::string hardwareDescription() = 0;
94 // Runner for the CPU version of Leap-Frog.
95 class LeapFrogHostTestRunner : public ILeapFrogTestRunner
99 LeapFrogHostTestRunner() {}
100 /*! \brief Integrate on the CPU for a given number of steps.
102 * Will update the test data with the integration result.
104 * \param[in] testData Data needed for the integrator
105 * \param[in] numSteps Total number of steps to run integration for.
107 void integrate(LeapFrogTestData* testData, int numSteps) override;
108 /*! \brief Get the hardware description
110 * \returns "CPU" string.
112 std::string hardwareDescription() override { return "CPU"; }
115 // Runner for the CPU version of Leap-Frog.
116 class LeapFrogDeviceTestRunner : public ILeapFrogTestRunner
119 /*! \brief Constructor. Keeps a copy of the hardware context.
121 * \param[in] testDevice The device hardware context to be used by the runner.
123 LeapFrogDeviceTestRunner(const TestDevice& testDevice) : testDevice_(testDevice) {}
124 /*! \brief Integrate on the GPU for a given number of steps.
126 * Copies data from CPU to GPU, integrates the equation of motion
127 * for requested number of steps using Leap-Frog algorithm, copies
130 * \param[in] testData Data needed for the integrator
131 * \param[in] numSteps Total number of steps to run integration for.
133 void integrate(LeapFrogTestData* testData, int numSteps) override;
134 /*! \brief Get the hardware description
136 * \returns A string with GPU description.
138 std::string hardwareDescription() override { return testDevice_.description(); }
141 //! Test device to be used in the runner.
142 const TestDevice& testDevice_;
148 #endif // GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H