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See the GNU 17 * Lesser General Public License for more details. 18 * 19 * You should have received a copy of the GNU Lesser General Public 20 * License along with GROMACS; if not, see 21 * http://www.gnu.org/licenses, or write to the Free Software Foundation, 22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. 23 * 24 * If you want to redistribute modifications to GROMACS, please 25 * consider that scientific software is very special. Version 26 * control is crucial - bugs must be traceable. We will be happy to 27 * consider code for inclusion in the official distribution, but 28 * derived work must not be called official GROMACS. Details are found 29 * in the README & COPYING files - if they are missing, get the 30 * official version at http://www.gromacs.org. 31 * 32 * To help us fund GROMACS development, we humbly ask that you cite 33 * the research papers on the package. Check out http://www.gromacs.org. 34 */ 35 /*! \internal \file 36 * \brief Leap-Frog tests runners. 37 * 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. 42 * 43 * \author Artem Zhmurov <zhmurov@gmail.com> 44 * \ingroup module_mdlib 45 */ 46 #ifndef GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H 47 #define GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H 48 49 #include "config.h" 50 51 #include "gromacs/math/vec.h" 52 53 #include "testutils/test_device.h" 54 55 #include "leapfrogtestdata.h" 56 57 #define HAVE_GPU_LEAPFROG (GMX_GPU_CUDA || GMX_GPU_SYCL) 58 59 namespace gmx 60 { 61 namespace test 62 { 63 64 /* \brief LeapFrog integrator test runner interface. 65 * 66 * Wraps the actual implementation of LeapFrog algorithm into common interface. 67 */ 68 class ILeapFrogTestRunner 69 { 70 public: 71 //! Virtual destructor ~ILeapFrogTestRunner()72 virtual ~ILeapFrogTestRunner() {} 73 /*! \brief The abstract function that runs the integrator for a given number of steps. 74 * 75 * Should be overriden. 76 * 77 * \param[in] testData Data needed for the integrator 78 * \param[in] numSteps Total number of steps to run integration for. 79 */ 80 virtual void integrate(LeapFrogTestData* testData, int numSteps) = 0; 81 82 /*! \brief Get the human-friendly description of hardware used by the runner. 83 * 84 * \returns String with description of the hardware. 85 */ 86 virtual std::string hardwareDescription() = 0; 87 }; 88 89 // Runner for the CPU version of Leap-Frog. 90 class LeapFrogHostTestRunner : public ILeapFrogTestRunner 91 { 92 public: 93 //! Constructor. LeapFrogHostTestRunner()94 LeapFrogHostTestRunner() {} 95 /*! \brief Integrate on the CPU for a given number of steps. 96 * 97 * Will update the test data with the integration result. 98 * 99 * \param[in] testData Data needed for the integrator 100 * \param[in] numSteps Total number of steps to run integration for. 101 */ 102 void integrate(LeapFrogTestData* testData, int numSteps) override; 103 /*! \brief Get the hardware description 104 * 105 * \returns "CPU" string. 106 */ hardwareDescription()107 std::string hardwareDescription() override { return "CPU"; } 108 }; 109 110 // Runner for the CPU version of Leap-Frog. 111 class LeapFrogDeviceTestRunner : public ILeapFrogTestRunner 112 { 113 public: 114 /*! \brief Constructor. Keeps a copy of the hardware context. 115 * 116 * \param[in] testDevice The device hardware context to be used by the runner. 117 */ LeapFrogDeviceTestRunner(const TestDevice & testDevice)118 LeapFrogDeviceTestRunner(const TestDevice& testDevice) : testDevice_(testDevice) {} 119 /*! \brief Integrate on the GPU for a given number of steps. 120 * 121 * Copies data from CPU to GPU, integrates the equation of motion 122 * for requested number of steps using Leap-Frog algorithm, copies 123 * the result back. 124 * 125 * \param[in] testData Data needed for the integrator 126 * \param[in] numSteps Total number of steps to run integration for. 127 */ 128 void integrate(LeapFrogTestData* testData, int numSteps) override; 129 /*! \brief Get the hardware description 130 * 131 * \returns A string with GPU description. 132 */ hardwareDescription()133 std::string hardwareDescription() override { return testDevice_.description(); } 134 135 private: 136 //! Test device to be used in the runner. 137 const TestDevice& testDevice_; 138 }; 139 140 } // namespace test 141 } // namespace gmx 142 143 #endif // GMX_MDLIB_TESTS_LEAPFROGTESTRUNNERS_H 144