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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"
50 #if !GMX_GPU_CUDA && !GMX_GPU_SYCL
55 class UpdateConstrainGpu::Impl
59 UpdateConstrainGpu::UpdateConstrainGpu(const t_inputrec& /* ir */,
60 const gmx_mtop_t& /* mtop */,
61 const int /* numTempScaleValues */,
62 const DeviceContext& /* deviceContext */,
63 const DeviceStream& /* deviceStream */,
64 GpuEventSynchronizer* /* xUpdatedOnDevice */,
65 gmx_wallcycle* /*wcycle*/) :
69 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
72 UpdateConstrainGpu::~UpdateConstrainGpu() = default;
74 void UpdateConstrainGpu::integrate(GpuEventSynchronizer* /* fReadyOnDevice */,
76 const bool /* updateVelocities */,
77 const bool /* computeVirial */,
78 tensor /* virialScaled */,
79 const bool /* doTemperatureScaling */,
80 gmx::ArrayRef<const t_grp_tcstat> /* tcstat */,
81 const bool /* doParrinelloRahman */,
82 const float /* dtPressureCouple */,
83 const matrix /* prVelocityScalingMatrix*/)
86 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
89 void UpdateConstrainGpu::scaleCoordinates(const matrix /* scalingMatrix */)
92 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
95 void UpdateConstrainGpu::scaleVelocities(const matrix /* scalingMatrix */)
98 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
101 void UpdateConstrainGpu::set(DeviceBuffer<RVec> /* d_x */,
102 DeviceBuffer<RVec> /* d_v */,
103 const DeviceBuffer<RVec> /* d_f */,
104 const InteractionDefinitions& /* idef */,
105 const t_mdatoms& /* md */)
108 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
111 void UpdateConstrainGpu::setPbc(const PbcType /* pbcType */, const matrix /* box */)
114 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
117 GpuEventSynchronizer* UpdateConstrainGpu::getCoordinatesReadySync()
120 "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
124 bool UpdateConstrainGpu::isNumCoupledConstraintsSupported(const gmx_mtop_t& /* mtop */)
131 #endif /* !GMX_GPU_CUDA && !GMX_GPU_SYCL */