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37 * \brief Stub for update and constraints class CPU implementation.
39 * \author Artem Zhmurov <zhmurov@gmail.com>
41 * \ingroup module_mdlib
47 #include "gromacs/mdlib/update_constrain_gpu.h"
48 #include "gromacs/utility/gmxassert.h"
55 class UpdateConstrainGpu::Impl
59 UpdateConstrainGpu::UpdateConstrainGpu(const t_inputrec& /* ir */,
60 const gmx_mtop_t& /* mtop */,
61 const DeviceContext& /* deviceContext */,
62 const DeviceStream& /* deviceStream */,
63 GpuEventSynchronizer* /* xUpdatedOnDevice */) :
67 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
70 UpdateConstrainGpu::~UpdateConstrainGpu() = default;
72 void UpdateConstrainGpu::integrate(GpuEventSynchronizer* /* fReadyOnDevice */,
74 const bool /* updateVelocities */,
75 const bool /* computeVirial */,
76 tensor /* virialScaled */,
77 const bool /* doTemperatureScaling */,
78 gmx::ArrayRef<const t_grp_tcstat> /* tcstat */,
79 const bool /* doParrinelloRahman */,
80 const float /* dtPressureCouple */,
81 const matrix /* prVelocityScalingMatrix*/)
84 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
87 void UpdateConstrainGpu::scaleCoordinates(const matrix /* scalingMatrix */)
90 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
93 void UpdateConstrainGpu::scaleVelocities(const matrix /* scalingMatrix */)
96 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
99 void UpdateConstrainGpu::set(DeviceBuffer<RVec> /* d_x */,
100 DeviceBuffer<RVec> /* d_v */,
101 const DeviceBuffer<RVec> /* d_f */,
102 const InteractionDefinitions& /* idef */,
103 const t_mdatoms& /* md */,
104 const int /* numTempScaleValues */)
107 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
110 void UpdateConstrainGpu::setPbc(const PbcType /* pbcType */, const matrix /* box */)
113 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
116 GpuEventSynchronizer* UpdateConstrainGpu::getCoordinatesReadySync()
119 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
123 bool UpdateConstrainGpu::isNumCoupledConstraintsSupported(const gmx_mtop_t& /* mtop */)
130 #endif /* !GMX_GPU_CUDA */