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/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/nvtit/
Dmd_iteration_gradient_descent_impl.cu21 __global__ void MD_Iteration_Gradient_Descent(const int atom_numbers, VECTOR *crd, VECTOR *frc, in MD_Iteration_Gradient_Descent()
35 void MDIterationGradientDescent(const int atom_numbers, float *crd, float *frc, const float learnin… in MDIterationGradientDescent()
Dmd_iteration_leap_frog_impl.cu24 __global__ void MD_Iteration_Leap_Frog(const int atom_numbers, VECTOR *vel, VECTOR *crd, VECTOR *fr… in MD_Iteration_Leap_Frog()
46 void MDIterationLeapFrog(const int atom_numbers, float *vel, float *crd, float *frc, float *acc, in MDIterationLeapFrog()
Dmd_iteration_leap_frog_with_max_vel_impl.cu21 …teration_Leap_Frog_With_Max_Velocity(const int atom_numbers, VECTOR *vel, VECTOR *crd, VECTOR *frc, in MD_Iteration_Leap_Frog_With_Max_Velocity()
35 void MDIterationLeapFrogWithMaxVelocity(const int atom_numbers, float *vel, float *crd, float *frc,… in MDIterationLeapFrogWithMaxVelocity()
Dmd_iteration_leap_frog_liujian_gpu_impl.cu23 … float *sqrt_mass_inverse, VECTOR *vel, VECTOR *crd, in MD_Iteration_Leap_Frog_With_LiuJian_kernel()
53 … float *sqrt_mass_inverse, float *vel, float *crd, float *frc, float *acc, in MD_Iteration_Leap_Frog_With_LiuJian()
Dmd_iteration_leap_frog_liujian_with_max_vel_impl.cu23 …const float *sqrt_mass_inverse, VECTOR *vel, VECTOR *crd, VECTOR *frc, VECTOR *acc, VECTOR *random… in MD_Iteration_Leap_Frog_With_LiuJian_With_Max_Velocity()
64 … float *sqrt_mass_inverse, float *vel, float *crd, float *frc, in MD_Iteration_Leap_Frog_With_LiuJian_With_Max_Vel()
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/common/
Dcrd_to_uint_crd_impl.cu20 …lobal__ void Crd_To_Uint_Crd(const int atom_numbers, const VECTOR *scale_factor, const VECTOR *crd, in Crd_To_Uint_Crd()
38 VECTOR *crd = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(crd_f)); in CrdToUintCrd() local
Dcrd_to_uint_crd_quarter_impl.cu19 …void Crd_To_Uint_Crd_Quarter(const int atom_numbers, const VECTOR *scale_factor, const VECTOR *crd, in Crd_To_Uint_Crd_Quarter()
41 VECTOR *crd = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(crd_f)); in CrdToUintCrdQuarter() local
Datomcrdtocv_impl.cu27 __global__ void Record_Box_Map_Times(int atom_numbers, const float *crd, const float *old_crd, floa… in Record_Box_Map_Times()
50 __global__ void gen_nowarp_crd(int atom_numbers, const float *crd, float *box, int *box_map_times, … in gen_nowarp_crd()
59 __global__ void G_Radial(const int start_serial, const int end_serial, const float *crd, float *g_r… in G_Radial()
78 __global__ void G_Angular(const int start_serial, const int end_serial, const float *crd, float *g_… in G_Angular()
Dgetcenter_impl.cu21 … const int *center_atoms, const VECTOR *crd, VECTOR *center_of_geometry) { in GetCenterOfGeometryKernel()
34 VECTOR *crd = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(crd_f)); in GetCenterOfGeometry() local
Dget_center_of_mass_impl.cu20 __global__ void Get_Center_Of_Mass(int residue_numbers, int *start, int *end, VECTOR *crd, float *a… in Get_Center_Of_Mass()
36 VECTOR *crd = reinterpret_cast<VECTOR *>(crd_f); in GetCenterOfMass() local
Dmap_center_of_mass_impl.cu21 … float *scaler, VECTOR *center_of_mass, VECTOR *box_length, VECTOR *no_wrap_crd, VECTOR *crd) { in Map_Center_Of_Mass()
41 VECTOR *crd = reinterpret_cast<VECTOR *>(crd_f); in MapCenterOfMass() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/crdmcmap/
Dcal_no_wrap_crd_impl.cu22 …_ void Calculate_No_Wrap_Crd(int atom_numbers, INT_VECTOR *box_map_times, VECTOR *box, VECTOR *crd, in Calculate_No_Wrap_Crd()
37 VECTOR *crd = reinterpret_cast<VECTOR *>(crd_f); in calculatenowrapcrd() local
Drefresh_boxmaptimes_impl.cu21 __global__ void Refresh_BoxMapTimes_CUDA(int atom_numbers, VECTOR *box_length_inverse, VECTOR *crd, in Refresh_BoxMapTimes_CUDA()
38 VECTOR *crd = reinterpret_cast<VECTOR *>(crd_f); in refresh_boxmaptimes() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/restrain/
Drestrain_energy_impl.cu21 …oid restrain_energy_kernel(const int restrain_numbers, const int *restrain_list, const VECTOR *crd, in restrain_energy_kernel()
36 const VECTOR *crd = reinterpret_cast<const VECTOR *>(crd_f); in restrainenergy() local
Drestrain_force_atom_energy_virial_impl.cu21 … const VECTOR *crd, const VECTOR *crd_ref, const float weight, in restrain_force_with_atom_energy_and_virial()
47 const VECTOR *crd = reinterpret_cast<const VECTOR *>(crd_f); in restrainforcewithatomenergyandvirial() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/simple_constrain/
Drefresh_uint_crd_impl.cu20 __global__ void Refresh_Uint_Crd(int atom_numbers, const VECTOR *crd, const VECTOR *quarter_crd_to_… in Refresh_Uint_Crd()
49 const VECTOR *crd = reinterpret_cast<const VECTOR *>(crd_f); in refreshuintcrd() local
Drefresh_crd_vel_impl.cu21 … float half_exp_gamma_plus_half, VECTOR *test_frc, float *mass_inverse, VECTOR *crd, in Refresh_Crd_Vel()
51 VECTOR *crd = reinterpret_cast<VECTOR *>(crd_f); in refreshcrdvel() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/neighbor_list/
Dneighbor_list_impl.cu34 …tic __global__ void Crd_To_Uint_Crd(const int atom_numbers, float *scale_factor, const VECTOR *crd, in Crd_To_Uint_Crd()
55 static __global__ void Crd_Periodic_Map(const int atom_numbers, VECTOR *crd, const float *box_lengt… in Crd_Periodic_Map()
99 … const VECTOR *crd, const int *grid_N, const int gridxy, in Find_Atom_In_Grid_Serial()
258 __global__ void Crd_To_Uint_Crd_Half(const int atom_numbers, float *scale_factor, const VECTOR *crd, in Crd_To_Uint_Crd_Half()
289 __global__ void Is_need_refresh_neighbor_list_cuda(const int atom_numbers, const VECTOR *crd, const… in Is_need_refresh_neighbor_list_cuda()
305 …efresh_Neighbor_List_Half(int *refresh_sign, const int thread, const int atom_numbers, VECTOR *crd, in Refresh_Neighbor_List_Half()
355 …_Neighbor_List_First_Time(int *refresh_sign, const int thread, const int atom_numbers, VECTOR *crd, in Refresh_Neighbor_List_First_Time()
405 … int *atom_in_grid_serial, GRID_BUCKET *bucket, VECTOR *crd, VECTOR *old_crd, in Refresh_Neighbor_List_No_Check_Half()
445 int *atom_in_grid_serial, GRID_BUCKET *bucket, float *crd, float *old_crd, in NeighborListUpdate()
506 __global__ void Is_need_refresh_neighbor_list_cuda(const int atom_numbers, const VECTOR *crd, const… in Is_need_refresh_neighbor_list_cuda()
[all …]
/third_party/mindspore/mindspore/ops/operations/
Dsponge_update_ops.py543 def infer_shape(self, crd_to_uint_crd_cof, crd): argument
553 def infer_dtype(self, crd_to_uint_crd_cof, crd): argument
629 … def infer_shape(self, inverse_mass, sqrt_mass_inverse, vel, crd, frc, acc, rand_state, rand_frc): argument
654 … def infer_dtype(self, inverse_mass, sqrt_mass_inverse, vel, crd, frc, acc, rand_state, rand_frc): argument
706 def infer_shape(self, start, end, crd, atom_mass, residue_mass_inverse): argument
722 def infer_dtype(self, start, end, crd, atom_mass, residue_mass_inverse): argument
777 def infer_shape(self, start, end, center_of_mass, box_length, no_wrap_crd, crd, scaler): argument
800 def infer_dtype(self, start, end, center_of_mass, box_length, no_wrap_crd, crd, scaler): argument
1090 def infer_shape(self, vel, crd, frc, acc, inverse_mass): argument
1108 def infer_dtype(self, vel, crd, frc, acc, inverse_mass): argument
[all …]
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/
Dmd_iteration_gradient_descent_kernel.h53 auto crd = GetDeviceAddress<float>(inputs, 0); in Launch() local
Dmd_iteration_leap_frog_kernel.h57 auto crd = GetDeviceAddress<float>(inputs, 1); in Launch() local
Dmd_iteration_leap_frog_with_max_vel_kernel.h55 auto crd = GetDeviceAddress<float>(inputs, 1); in Launch() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/
Dcrd_to_uint_crd_quarter_kernel.h59 auto crd = GetDeviceAddress<const T>(inputs, 1); in Launch() local
Dcrd_to_uint_crd_kernel.h59 auto crd = GetDeviceAddress<const T>(inputs, 1); in Launch() local
Dgetcenter_kernel.h59 auto crd = GetDeviceAddress<const T>(inputs, 1); in Launch() local

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