diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_atom_energy_kernel.cc index 40218ec3f4..0f661b1f0c 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_atom_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(AngleAtomEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), AngleAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_energy_kernel.cc index 2ccc197899..3bce04d4e7 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(AngleEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), AngleEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_kernel.cc index 20aa6b32fa..864adb4873 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(AngleForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), AngleForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_with_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_with_atom_energy_kernel.cc index 6291ac69ac..c04b6ff8e9 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_with_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/angle/angle_force_with_atom_energy_kernel.cc @@ -30,6 +30,5 @@ MS_REG_GPU_KERNEL_TWO(AngleForceWithAtomEnergy, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), AngleForceWithAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_atom_energy_cuda_gpu_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_atom_energy_cuda_gpu_kernel.cc index a8455e74ea..26bc001802 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_atom_energy_cuda_gpu_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_atom_energy_cuda_gpu_kernel.cc @@ -28,6 +28,5 @@ MS_REG_GPU_KERNEL_TWO(BondAtomEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), BondAtomEnergyCudaGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_energy_cuda_gpu_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_energy_cuda_gpu_kernel.cc index 0f3ef06e5d..5535da42c1 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_energy_cuda_gpu_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_energy_cuda_gpu_kernel.cc @@ -28,6 +28,5 @@ MS_REG_GPU_KERNEL_TWO(BondEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), BondEnergyCudaGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_cuda_gpu_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_cuda_gpu_kernel.cc index 6ade015ad9..5212676c56 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_cuda_gpu_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_cuda_gpu_kernel.cc @@ -28,6 +28,5 @@ MS_REG_GPU_KERNEL_TWO(BondForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), BondForceCudaGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_energy_kernel.cc index a6e04a3784..368aa8a5f0 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(BondForceWithAtomEnergy, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), BondForceWithAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_virial_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_virial_kernel.cc index 18c7799d79..47ad668e7f 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_virial_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/bond/bond_force_with_atom_virial_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(BondForceWithAtomVirial, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), BondForceWithAtomVirialGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.cc index f1aa894eeb..2d1e8f8b5a 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.cc @@ -22,6 +22,5 @@ MS_REG_GPU_KERNEL_TWO( CrdToUintCrd, KernelAttr().AddInputAttr(kNumberTypeFloat32).AddInputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeUInt32), CrdToUintCrdGpuKernel, float, unsigned int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.h index 01bb66c058..539336771e 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/crd_to_uint_crd_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class CrdToUintCrdGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.cc index 76275ef9ba..0484708555 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.cc @@ -22,6 +22,5 @@ MS_REG_GPU_KERNEL_TWO( GetCenterOfGeometry, KernelAttr().AddInputAttr(kNumberTypeInt32).AddInputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeFloat32), GetCenterOfGeometryGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.h index 493c6d23c2..d53e2760b2 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/getcenter_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class GetCenterOfGeometryGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.cc index ada4cbe675..be94d35cda 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.cc @@ -26,6 +26,5 @@ MS_REG_GPU_KERNEL_TWO(MDTemperature, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), MDTemperatureGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.h index 7fae9a2245..b38c9afa23 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/mdtemperature_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class MDTemperatureGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/transfer_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/transfer_kernel.cc index 3e2279cab5..eca4df7179 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/transfer_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/common/transfer_kernel.cc @@ -22,6 +22,5 @@ MS_REG_GPU_KERNEL_TWO( TransferCrd, KernelAttr().AddInputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeFloat32), TransferGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_atom_energy_kernel.cc index bab48627ff..e9801e7c7f 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_atom_energy_kernel.cc @@ -33,6 +33,5 @@ MS_REG_GPU_KERNEL_TWO(DihedralAtomEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), DihedralAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_energy_kernel.cc index bcbbe2d64f..46957f5f87 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_energy_kernel.cc @@ -33,6 +33,5 @@ MS_REG_GPU_KERNEL_TWO(DihedralEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), DihedralEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_kernel.cc index c3cd4d77f8..423ba9f9a5 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_kernel.cc @@ -33,6 +33,5 @@ MS_REG_GPU_KERNEL_TWO(DihedralForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), DihedralForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_with_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_with_atom_energy_kernel.cc index 2a5f581b50..ac76c7380d 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_with_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/dihedral/dihedral_force_with_atom_energy_kernel.cc @@ -34,6 +34,5 @@ MS_REG_GPU_KERNEL_TWO(DihedralForceWithAtomEnergy, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), DihedralForceWithAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_energy_kernel.cc index 84455f13d3..501d778c22 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(LJEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), LJEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_kernel.cc index 9c7c83c639..0d6ddb620c 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(LJForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), LJForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_with_pme_direct_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_with_pme_direct_force_kernel.cc index e4930691b2..fb014c1352 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_with_pme_direct_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/lj/lj_force_with_pme_direct_force_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(LJForceWithPMEDirectForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), LJForceWithPMEDirectForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.cc index 131babc923..a6e3c64148 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14CFAtomEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14CFAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.h index ef0341331a..8d90ab52d7 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_atom_energy_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14CFAtomEnergyGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.cc index 5685e1dab7..facc4a6011 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.cc @@ -29,6 +29,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14CFEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14CFEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.h index 2d94c8ed95..2359959b0a 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_cf_energy_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14CFEnergyGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.cc index 44631e4ae4..29860d45d3 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.cc @@ -31,6 +31,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14LJAtomEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14LJAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.h index 8cd37d512f..4efbcffdf6 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_atom_energy_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14LJAtomEnergyGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.cc index aa47797a95..a67abc105d 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.cc @@ -33,6 +33,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14LJCFForceWithAtomEnergy, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14LJCFForceWithAtomEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.h index d3a5e1cd0c..a682e4816b 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_cf_force_with_atom_energy_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14LJCFForceWithAtomEnergyGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.cc index 443784541b..81c468ed30 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.cc @@ -31,6 +31,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14LJEnergy, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14LJEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.h index bc7bc84435..eb3f9dbca5 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_energy_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14LJEnergyGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.cc index e1b6f059a6..ebfecd8f3a 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.cc @@ -31,6 +31,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14LJForce, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14LJForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.h index a1fdb3d3a4..be2257f42c 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_gpu_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14LJForceGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.cc index 36ef602f48..9b4c5b135d 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.cc @@ -32,6 +32,5 @@ MS_REG_GPU_KERNEL_TWO(Dihedral14LJForceWithDirectCF, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), Dihedral14LJForceWithDirectCFGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.h index d0911d0889..e5cf1870f3 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nb14/dihedral_14_lj_force_with_direct_cf_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class Dihedral14LJForceWithDirectCFGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/neighbor_list/neighbor_list_update_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/neighbor_list/neighbor_list_update_kernel.cc index 455eead002..6b24a87e37 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/neighbor_list/neighbor_list_update_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/neighbor_list/neighbor_list_update_kernel.cc @@ -41,6 +41,5 @@ MS_REG_GPU_KERNEL_TWO(NeighborListUpdate, .AddInputAttr(kNumberTypeInt32) .AddOutputAttr(kNumberTypeFloat32), NeighborListUpdateGpuKernel, int, float) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.cc index f55a5c2690..79298afe16 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.cc @@ -27,6 +27,5 @@ MS_REG_GPU_KERNEL_ONE(MDIterationLeapFrog, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), MDIterationLeapFrogGpuKernel, float) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.h index cb092c5190..a5c06f60a6 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_kernel.h @@ -28,7 +28,6 @@ namespace mindspore { namespace kernel { - template class MDIterationLeapFrogGpuKernel : public GpuKernel { public: diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_liujian_gpu_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_liujian_gpu_kernel.cc index 425eaa6214..32f5d3b9da 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_liujian_gpu_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_leap_frog_liujian_gpu_kernel.cc @@ -30,6 +30,5 @@ MS_REG_GPU_KERNEL_TWO(MDIterationLeapFrogLiujian, .AddInputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), MDIterationLeapFrogLiujianCudaGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_setup_random_state.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_setup_random_state.cc index 37c5289c3f..faf9ea30d0 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_setup_random_state.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/md_iteration_setup_random_state.cc @@ -20,6 +20,5 @@ namespace mindspore { namespace kernel { MS_REG_GPU_KERNEL_TWO(MDIterationSetupRandState, KernelAttr().AddOutputAttr(kNumberTypeFloat32), MDIterationSetupRandStateGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.cc index 8c96955d27..5e5664cd10 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.cc @@ -32,6 +32,5 @@ MS_REG_GPU_KERNEL_TWO(PMEEnergy, .AddOutputAttr(kNumberTypeFloat32) .AddOutputAttr(kNumberTypeFloat32), PMEEnergyGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.h index d51895e0f0..e99e00d0dc 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_energy_kernel.h @@ -42,10 +42,7 @@ class PMEEnergyGpuKernel : public GpuKernel { float box_length_0 = static_cast(GetAttr(kernel_node, "box_length_0")); float box_length_1 = static_cast(GetAttr(kernel_node, "box_length_1")); float box_length_2 = static_cast(GetAttr(kernel_node, "box_length_2")); - std::vector h_box_length(3); - h_box_length[0] = box_length_0; - h_box_length[1] = box_length_1; - h_box_length[2] = box_length_2; + std::vector h_box_length{box_length_0, box_length_1, box_length_2}; VECTOR *box_length = reinterpret_cast(h_box_length.data()); cufftPlan3d(&PME_plan_r2c, fftx, ffty, fftz, CUFFT_R2C); cufftPlan3d(&PME_plan_c2r, fftx, ffty, fftz, CUFFT_C2R); @@ -191,6 +188,7 @@ class PMEEnergyGpuKernel : public GpuKernel { res.y *= t; return res; } + float M_(float u, int n) { if (n == 2) { if (u > 2 || u < 0) return 0; @@ -199,6 +197,7 @@ class PMEEnergyGpuKernel : public GpuKernel { return u / (n - 1) * M_(u, n - 1) + (n - u) / (n - 1) * M_(u - 1, n - 1); } } + float getb(int k, int NFFT, int B_order) { cufftComplex tempc, tempc2, res; float tempf; @@ -211,7 +210,12 @@ class PMEEnergyGpuKernel : public GpuKernel { for (int kk = 0; kk < (B_order - 1); kk++) { tempc.x = 0; - tempc.y = 2 * PI * k / NFFT * kk; + if (NFFT == 0) { + MS_LOG(ERROR) << "Divide by zero."; + break; + } else { + tempc.y = 2 * PI * k / NFFT * kk; + } tempc = expc(tempc); tempf = M_(kk + 1, B_order); tempc2.x += tempf * tempc.x; diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_excluded_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_excluded_force_kernel.cc index 822ccb881c..889f97c1ec 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_excluded_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_excluded_force_kernel.cc @@ -27,6 +27,5 @@ MS_REG_GPU_KERNEL_TWO(PMEExcludedForce, .AddInputAttr(kNumberTypeInt32) .AddOutputAttr(kNumberTypeFloat32), PMEExcludedForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.cc b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.cc index 8ca56eb00b..43193ec789 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.cc +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.cc @@ -21,6 +21,5 @@ MS_REG_GPU_KERNEL_TWO( PMEReciprocalForce, KernelAttr().AddInputAttr(kNumberTypeUInt32).AddInputAttr(kNumberTypeFloat32).AddOutputAttr(kNumberTypeFloat32), PMEReciprocalForceGpuKernel, float, int) - } // namespace kernel } // namespace mindspore diff --git a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.h b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.h index 7bf21d136a..478c633127 100644 --- a/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.h +++ b/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/pme/pme_reciprocal_force_kernel.h @@ -46,10 +46,7 @@ class PMEReciprocalForceGpuKernel : public GpuKernel { float box_length_0 = static_cast(GetAttr(kernel_node, "box_length_0")); float box_length_1 = static_cast(GetAttr(kernel_node, "box_length_1")); float box_length_2 = static_cast(GetAttr(kernel_node, "box_length_2")); - std::vector h_box_length(3); - h_box_length[0] = box_length_0; - h_box_length[1] = box_length_1; - h_box_length[2] = box_length_2; + std::vector h_box_length{box_length_0, box_length_1, box_length_2}; VECTOR *box_length = reinterpret_cast(h_box_length.data()); PME_inverse_box_vector.x = static_cast(fftx) / box_length[0].x; PME_inverse_box_vector.y = static_cast(ffty) / box_length[0].y; @@ -170,6 +167,7 @@ class PMEReciprocalForceGpuKernel : public GpuKernel { res.y *= t; return res; } + float M_(float u, int n) { if (n == 2) { if (u > 2 || u < 0) return 0; @@ -178,6 +176,7 @@ class PMEReciprocalForceGpuKernel : public GpuKernel { return u / (n - 1) * M_(u, n - 1) + (n - u) / (n - 1) * M_(u - 1, n - 1); } } + float getb(int k, int NFFT, int B_order) { cufftComplex tempc, tempc2, res; float tempf; @@ -190,7 +189,12 @@ class PMEReciprocalForceGpuKernel : public GpuKernel { for (int kk = 0; kk < (B_order - 1); kk++) { tempc.x = 0; - tempc.y = 2 * PI * k / NFFT * kk; + if (NFFT == 0) { + MS_LOG(ERROR) << "Divide by zero."; + break; + } else { + tempc.y = 2 * PI * k / NFFT * kk; + } tempc = expc(tempc); tempf = M_(kk + 1, B_order); tempc2.x += tempf * tempc.x; diff --git a/mindspore/ops/operations/sponge_ops.py b/mindspore/ops/operations/sponge_ops.py index 72e78aaedd..c9d344b97d 100644 --- a/mindspore/ops/operations/sponge_ops.py +++ b/mindspore/ops/operations/sponge_ops.py @@ -1833,6 +1833,9 @@ class PMEReciprocalForce(PrimitiveWithInfer): validator.check_value_type('fftx', fftx, (int), self.name) validator.check_value_type('ffty', ffty, (int), self.name) validator.check_value_type('fftz', fftz, (int), self.name) + validator.check_value_type('box_length_0', box_length_0, (float), self.name) + validator.check_value_type('box_length_1', box_length_1, (float), self.name) + validator.check_value_type('box_length_2', box_length_2, (float), self.name) self.atom_numbers = atom_numbers self.beta = beta self.fftx = fftx @@ -2002,6 +2005,9 @@ class PMEEnergy(PrimitiveWithInfer): validator.check_value_type('fftx', fftx, (int), self.name) validator.check_value_type('ffty', ffty, (int), self.name) validator.check_value_type('fftz', fftz, (int), self.name) + validator.check_value_type('box_length_0', box_length_0, (float), self.name) + validator.check_value_type('box_length_1', box_length_1, (float), self.name) + validator.check_value_type('box_length_2', box_length_2, (float), self.name) self.atom_numbers = atom_numbers self.excluded_numbers = excluded_numbers self.beta = beta