From 92488050a90eb7d8cec2432de4201d9e2d25239d Mon Sep 17 00:00:00 2001 From: Mikael Alexander Kovtun Date: Thu, 30 May 2024 14:54:35 -0700 Subject: [PATCH 1/2] Fixed spelling in error messages and homogenized capitalization --- include/gauxc/load_balancer.hpp | 14 +++++----- src/molgrid_defaults.cxx | 2 +- .../local_work_driver/device/scheme1_base.cxx | 28 +++++++++---------- .../local_work_driver/factory.cxx | 2 +- .../host/reference_local_host_work_driver.cxx | 26 ++++++++--------- ...plicated_xc_device_integrator_exc_grad.hpp | 2 +- ...eplicated_xc_device_integrator_exc_vxc.hpp | 14 +++++----- ...re_replicated_xc_device_integrator_exx.hpp | 4 +-- ...ted_xc_device_integrator_integrate_den.hpp | 7 +---- .../replicated_xc_device_integrator.cxx | 2 +- ...replicated_xc_host_integrator_exc_grad.hpp | 2 +- ..._replicated_xc_host_integrator_exc_vxc.hpp | 6 ++-- ...ence_replicated_xc_host_integrator_exx.hpp | 10 +++---- ...cated_xc_host_integrator_integrate_den.hpp | 2 +- .../host/replicated_xc_host_integrator.cxx | 2 +- ...ched_replicated_xc_integrator_exc_grad.hpp | 2 +- ...l_batched_replicated_xc_integrator_exx.hpp | 2 +- ...replicated_xc_integrator_integrate_den.hpp | 2 +- .../xc_data/device/xc_device_data.hpp | 2 +- .../xc_data/device/xc_device_stack_data.cxx | 10 +++---- 20 files changed, 68 insertions(+), 73 deletions(-) diff --git a/include/gauxc/load_balancer.hpp b/include/gauxc/load_balancer.hpp index ea67f9c4..a8d75793 100644 --- a/include/gauxc/load_balancer.hpp +++ b/include/gauxc/load_balancer.hpp @@ -26,7 +26,7 @@ namespace detail { /// State tracker for LoadBalancer instances struct LoadBalancerState { bool modified_weights_are_stored = false; - ///< Whether the load balancer currently sotred partitioned weights + ///< Whether the load balancer currently stored partitioned weights }; @@ -136,15 +136,15 @@ class LoadBalancerFactory { * - "REPLICATED": Read as "REPLICATED-PETITE" * - "REPLICATED-PETITE": Replicate the load balancer function, only keep * non negligible basis functions - * - "REPLICATE-FILLIN": Same as "REPLICATED-PETITE" except if two - * non-adjacent bfns are kept, the gaps are filled in. - * This gurantees contiguous memory access but leads - * to significantly more work. Not advised for general - * usage + * - "REPLICATED-FILLIN": Same as "REPLICATED-PETITE" except if two + * non-adjacent bfns are kept, the gaps are filled in. + * This gurantees contiguous memory access but leads + * to significantly more work. Not advised for general + * usage * * Currently accepted values for Device execution space: * - "DEFAULT": Read as "REPLICATED" - * - "REPLICATAED": Same as Host::REPLICATED-PETITE + * - "REPLICATED": Same as Host::REPLICATED-PETITE */ LoadBalancerFactory( ExecutionSpace ex, std::string kernel_name ); diff --git a/src/molgrid_defaults.cxx b/src/molgrid_defaults.cxx index 3304e795..c1d0fc52 100644 --- a/src/molgrid_defaults.cxx +++ b/src/molgrid_defaults.cxx @@ -119,7 +119,7 @@ std::tuple } default: - GAUXC_GENERIC_EXCEPTION("Not A Resognized Standard Grid"); + GAUXC_GENERIC_EXCEPTION("Not A Recognized Standard Grid"); abort(); } diff --git a/src/xc_integrator/local_work_driver/device/scheme1_base.cxx b/src/xc_integrator/local_work_driver/device/scheme1_base.cxx index 80da67d3..f42aff3c 100644 --- a/src/xc_integrator/local_work_driver/device/scheme1_base.cxx +++ b/src/xc_integrator/local_work_driver/device/scheme1_base.cxx @@ -303,34 +303,34 @@ void AoSScheme1Base::eval_zmat_mgga_vxc_rks( XCDeviceData* _data, bool do_lapl){ void AoSScheme1Base::eval_zmat_lda_vxc_uks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_zmat_gga_vxc_uks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_zmat_mgga_vxc_uks( XCDeviceData*, bool /*do_lapl*/){ - GAUXC_GENERIC_EXCEPTION("UKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_zmat_lda_vxc_gks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_zmat_gga_vxc_gks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_zmat_mgga_vxc_gks( XCDeviceData*, bool /*do_lapl*/){ - GAUXC_GENERIC_EXCEPTION("GKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_mmat_mgga_vxc_rks( XCDeviceData* _data, bool do_lapl){ @@ -356,10 +356,10 @@ void AoSScheme1Base::eval_mmat_mgga_vxc_rks( XCDeviceData* _data, bool do_lapl){ data->device_backend_->check_error("mmat_mgga" __FILE__ ": " + std::to_string(__LINE__)); } void AoSScheme1Base::eval_mmat_mgga_vxc_uks( XCDeviceData*, bool /*do_lapl*/){ - GAUXC_GENERIC_EXCEPTION("UKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_mmat_mgga_vxc_gks( XCDeviceData*, bool /*do_lapl*/){ - GAUXC_GENERIC_EXCEPTION("GKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_collocation( XCDeviceData* _data ) { @@ -622,35 +622,35 @@ void AoSScheme1Base::eval_uvvar_mgga_rks( XCDeviceData* _data, bool do_lapl ){ void AoSScheme1Base::eval_uvvar_lda_uks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_uvvar_gga_uks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_uvvar_mgga_uks( XCDeviceData*, bool /*do_lapl*/ ){ - GAUXC_GENERIC_EXCEPTION("UKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_uvvar_lda_gks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_uvvar_gga_gks( XCDeviceData* ){ - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } void AoSScheme1Base::eval_uvvar_mgga_gks( XCDeviceData*, bool /*do_lapl*/ ){ - GAUXC_GENERIC_EXCEPTION("GKS MGGA NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS MGGA Not Yet Implemented For Device"); } void AoSScheme1Base::eval_kern_exc_vxc_lda( const functional_type& func, diff --git a/src/xc_integrator/local_work_driver/factory.cxx b/src/xc_integrator/local_work_driver/factory.cxx index 76d3f02a..744b58b4 100644 --- a/src/xc_integrator/local_work_driver/factory.cxx +++ b/src/xc_integrator/local_work_driver/factory.cxx @@ -68,7 +68,7 @@ LocalWorkDriverFactory::ptr_return_t default: - GAUXC_GENERIC_EXCEPTION("Execution Space Not Regognized"); + GAUXC_GENERIC_EXCEPTION("Execution Space Not Recognized"); } diff --git a/src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx b/src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx index 6b4df80c..faf7b9fe 100644 --- a/src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx +++ b/src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx @@ -628,7 +628,7 @@ void ReferenceLocalHostWorkDriver::eval_zmat_lda_vxc_gks( size_t npts, size_t nb const double* dbasis_z_eval, const double* dden_x_eval, const double* dden_y_eval, const double* dden_z_eval, double* Z, size_t ldz ) { - if( ldz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Z, nbf ); for( int32_t i = 0; i < (int32_t)npts; ++i ) { @@ -664,8 +664,8 @@ void ReferenceLocalHostWorkDriver::eval_zmat_lda_vxc_gks( size_t npts, size_t nb size_t ldzs, double* Zz, size_t ldzz ) { - if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zs, ldzs); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zz, ldzz); @@ -721,7 +721,7 @@ void ReferenceLocalHostWorkDriver::eval_zmat_lda_vxc_gks( size_t npts, size_t nb const double* dden_x_eval, const double* dden_y_eval, const double* dden_z_eval, double* Z, size_t ldz ) { - if( ldz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Z, nbf ); for( int32_t i = 0; i < (int32_t)npts; ++i ) { @@ -765,8 +765,8 @@ void ReferenceLocalHostWorkDriver::eval_zmat_mgga_vxc_uks( size_t npts, size_t n size_t ldzs, double* Zz, size_t ldzz ) { - if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zs, ldzs); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zz, ldzz); @@ -828,7 +828,7 @@ void ReferenceLocalHostWorkDriver::eval_zmat_mgga_vxc_uks( size_t npts, size_t n const double* dbasis_z_eval, double* mmat_x, double* mmat_y, double* mmat_z, size_t ldm ) { - if( ldm != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldm != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, dbasis_x_eval, nbf, mmat_x, ldm); blas::lacpy( 'A', nbf, npts, dbasis_y_eval, nbf, mmat_y, ldm); @@ -866,8 +866,8 @@ void ReferenceLocalHostWorkDriver::eval_mmat_mgga_vxc_uks(size_t npts, size_t nb double* mmat_xs, double* mmat_ys, double* mmat_zs, size_t ldms, double* mmat_xz, double* mmat_yz, double* mmat_zz, size_t ldmz) { - if( ldms != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldmz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldms != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldmz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, dbasis_x_eval, nbf, mmat_xs, ldms); blas::lacpy( 'A', nbf, npts, dbasis_y_eval, nbf, mmat_ys, ldms); @@ -933,10 +933,10 @@ void ReferenceLocalHostWorkDriver::eval_zmat_gga_vxc_gks( size_t npts, size_t nb auto *HY = HZ + npts; auto *HX = HY + npts; - if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldzx != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); - if( ldzy != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("INVALID DIMS")); + if( ldzs != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldzz != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldzx != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); + if( ldzy != nbf ) GAUXC_GENERIC_EXCEPTION(std::string("Invalid Dims")); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zs, ldzs); blas::lacpy( 'A', nbf, npts, basis_eval, nbf, Zz, ldzz); diff --git a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_grad.hpp b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_grad.hpp index 706a6b96..ff88e14a 100644 --- a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_grad.hpp +++ b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_grad.hpp @@ -99,7 +99,7 @@ void IncoreReplicatedXCDeviceIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Do XC integration in task batches diff --git a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_vxc.hpp b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_vxc.hpp index d0e44894..1a8299e2 100644 --- a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_vxc.hpp +++ b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exc_vxc.hpp @@ -117,7 +117,7 @@ void IncoreReplicatedXCDeviceIntegrator:: value_type* VXCz, int64_t ldvxcz, value_type* EXC, const IntegratorSettingsXC& settings ) { GauXC::util::unused(m,n,Ps,ldps,Pz,ldpz,VXCs,ldvxcs,VXCz,ldvxcz,EXC,settings); - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } template @@ -136,7 +136,7 @@ void IncoreReplicatedXCDeviceIntegrator:: value_type* VXCx, int64_t ldvxcx, value_type* EXC, const IntegratorSettingsXC& settings ) { GauXC::util::unused(m,n,Ps,ldps,Pz,ldpz,Py,ldpy,Px,ldpx,VXCs,ldvxcs,VXCz,ldvxcz,VXCy,ldvxcy,VXCx,ldvxcx,EXC,settings); - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } @@ -170,7 +170,7 @@ void IncoreReplicatedXCDeviceIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } #if 0 @@ -305,7 +305,7 @@ void IncoreReplicatedXCDeviceIntegrator:: host_task_iterator task_begin, host_task_iterator task_end, XCDeviceData& device_data ) { GauXC::util::unused(basis,Ps,ldps,Pz,ldpz,task_begin,task_end,device_data); - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } template @@ -318,7 +318,7 @@ void IncoreReplicatedXCDeviceIntegrator:: XCDeviceData& device_data ) { GauXC::util::unused(basis,Ps,ldps,Pz,ldpz,VXCs,ldvxcs,VXCz,ldvxcz,EXC,N_EL,task_begin,task_end,device_data); - GAUXC_GENERIC_EXCEPTION("UKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("UKS Not Yet Implemented For Device"); } template @@ -330,7 +330,7 @@ void IncoreReplicatedXCDeviceIntegrator:: host_task_iterator task_begin, host_task_iterator task_end, XCDeviceData& device_data ) { GauXC::util::unused(basis,Ps,ldps,Pz,ldpz,Py,ldpy,Px,ldpx,task_begin,task_end,device_data); - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } template @@ -347,7 +347,7 @@ void IncoreReplicatedXCDeviceIntegrator:: XCDeviceData& device_data ) { GauXC::util::unused(basis,Ps,ldps,Pz,ldpz,Py,ldpy,Px,ldpx,VXCs,ldvxcs,VXCz,ldvxcz,VXCy,ldvxcy,VXCx,ldvxcx,EXC,N_EL,task_begin,task_end,device_data); - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED FOR DEVICE"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented For Device"); } diff --git a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exx.hpp b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exx.hpp index 8d0a25e2..3cc19868 100644 --- a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exx.hpp +++ b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_exx.hpp @@ -142,7 +142,7 @@ void IncoreReplicatedXCDeviceIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Reset the coulomb screening data @@ -254,7 +254,7 @@ void IncoreReplicatedXCDeviceIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } task_end = std::stable_partition( task_begin, task_end, diff --git a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_integrate_den.hpp b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_integrate_den.hpp index 258850b8..eb610769 100644 --- a/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_integrate_den.hpp +++ b/src/xc_integrator/replicated/device/incore_replicated_xc_device_integrator_integrate_den.hpp @@ -72,10 +72,6 @@ void IncoreReplicatedXCDeviceIntegrator:: int64_t ldp, value_type* N_EL, host_task_iterator task_begin, host_task_iterator task_end, XCDeviceData& device_data ) { -#if 0 - GAUXC_GENERIC_EXCEPTION("NYI"); -#else - auto* lwd = dynamic_cast(this->local_work_driver_.get() ); @@ -99,7 +95,7 @@ void IncoreReplicatedXCDeviceIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Do XC integration in task batches @@ -143,7 +139,6 @@ void IncoreReplicatedXCDeviceIntegrator:: this->timer_.time_op("XCIntegrator.DeviceToHostCopy",[&](){ device_data.retrieve_den_integrands( N_EL ); }); -#endif } } diff --git a/src/xc_integrator/replicated/device/replicated_xc_device_integrator.cxx b/src/xc_integrator/replicated/device/replicated_xc_device_integrator.cxx index dc022f18..605de1c6 100644 --- a/src/xc_integrator/replicated/device/replicated_xc_device_integrator.cxx +++ b/src/xc_integrator/replicated/device/replicated_xc_device_integrator.cxx @@ -49,7 +49,7 @@ typename ReplicatedXCDeviceIntegratorFactory::ptr_return_t ); else - GAUXC_GENERIC_EXCEPTION("INTEGRATOR KERNEL " + integrator_kernel + " NOT RECOGNIZED"); + GAUXC_GENERIC_EXCEPTION("Integrator Kernel " + integrator_kernel + " Not Recognized"); } diff --git a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_grad.hpp b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_grad.hpp index 05972bbf..d8472c13 100644 --- a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_grad.hpp +++ b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_grad.hpp @@ -88,7 +88,7 @@ void ReferenceReplicatedXCHostIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Zero out integrands diff --git a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_vxc.hpp b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_vxc.hpp index de8244ee..da0f2277 100644 --- a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_vxc.hpp +++ b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exc_vxc.hpp @@ -117,7 +117,7 @@ void ReferenceReplicatedXCHostIntegrator:: const bool is_uks = (Pz != nullptr) and (VXCz != nullptr) and (VXCy == nullptr) and (VXCx == nullptr); const bool is_rks = not is_uks and not is_gks; if (not is_rks and not is_uks and not is_gks) { - GAUXC_GENERIC_EXCEPTION("MUST BE EITHER RKS, UKS, or GKS!"); + GAUXC_GENERIC_EXCEPTION("Must Be Either RKS, UKS, or GKS!"); } @@ -139,7 +139,7 @@ void ReferenceReplicatedXCHostIntegrator:: const bool needs_laplacian = func.needs_laplacian(); if (func.is_mgga() and is_gks) { - GAUXC_GENERIC_EXCEPTION("GKS NOT YET IMPLEMENTED WITH mGGA FUNCTIONALS!"); + GAUXC_GENERIC_EXCEPTION("GKS Not Yet Implemented With MGGA Functionals!"); } // Get basis map @@ -159,7 +159,7 @@ void ReferenceReplicatedXCHostIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Zero out integrands diff --git a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exx.hpp b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exx.hpp index 4898fd29..117bbb5c 100644 --- a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exx.hpp +++ b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_exx.hpp @@ -40,13 +40,13 @@ void ReferenceReplicatedXCHostIntegrator:: // Check that P / VXC are sane const int64_t nbf = basis.nbf(); if( m != n ) - GAUXC_GENERIC_EXCEPTION(" P/VXC Must Be Square"); + GAUXC_GENERIC_EXCEPTION("P/VXC Must Be Square"); if( m != nbf ) - GAUXC_GENERIC_EXCEPTION(" P/VXC Must Have Same Dimension as Basis"); + GAUXC_GENERIC_EXCEPTION("P/VXC Must Have Same Dimension as Basis"); if( ldp < nbf ) - GAUXC_GENERIC_EXCEPTION(" Invalid LDP"); + GAUXC_GENERIC_EXCEPTION("Invalid LDP"); if( ldk < nbf ) - GAUXC_GENERIC_EXCEPTION(" Invalid LDVXC"); + GAUXC_GENERIC_EXCEPTION("Invalid LDVXC"); // Get Tasks @@ -296,7 +296,7 @@ void ReferenceReplicatedXCHostIntegrator:: // Check that Partition Weights have been calculated auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } // Zero out integrands diff --git a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_integrate_den.hpp b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_integrate_den.hpp index 425d5ac9..d327a4ea 100644 --- a/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_integrate_den.hpp +++ b/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_integrate_den.hpp @@ -82,7 +82,7 @@ void ReferenceReplicatedXCHostIntegrator:: // Compute Partition Weights auto& lb_state = this->load_balancer_->state(); if( not lb_state.modified_weights_are_stored ) { - GAUXC_GENERIC_EXCEPTION("Weights Have Not Beed Modified"); + GAUXC_GENERIC_EXCEPTION("Weights Have Not Been Modified"); } diff --git a/src/xc_integrator/replicated/host/replicated_xc_host_integrator.cxx b/src/xc_integrator/replicated/host/replicated_xc_host_integrator.cxx index aaa09ff6..13953dd4 100644 --- a/src/xc_integrator/replicated/host/replicated_xc_host_integrator.cxx +++ b/src/xc_integrator/replicated/host/replicated_xc_host_integrator.cxx @@ -49,7 +49,7 @@ typename ReplicatedXCHostIntegratorFactory::ptr_return_t ); else - GAUXC_GENERIC_EXCEPTION("INTEGRATOR KERNEL: " + integrator_kernel + " NOT RECOGNIZED"); + GAUXC_GENERIC_EXCEPTION("Integrator Kernel: " + integrator_kernel + " Not Recognized"); return nullptr; diff --git a/src/xc_integrator/shell_batched/shell_batched_replicated_xc_integrator_exc_grad.hpp b/src/xc_integrator/shell_batched/shell_batched_replicated_xc_integrator_exc_grad.hpp index 39901b7d..dde98bdd 100644 --- a/src/xc_integrator/shell_batched/shell_batched_replicated_xc_integrator_exc_grad.hpp +++ b/src/xc_integrator/shell_batched/shell_batched_replicated_xc_integrator_exc_grad.hpp @@ -18,7 +18,7 @@ void ShellBatchedReplicatedXCIntegrator weights_host(local_npts); From f6fd7fefc93be88ad3578b976a8d21e8ea727e25 Mon Sep 17 00:00:00 2001 From: mikovtun <91164556+mikovtun@users.noreply.github.com> Date: Fri, 31 May 2024 09:41:12 -0700 Subject: [PATCH 2/2] Update include/gauxc/load_balancer.hpp Co-authored-by: David Williams-Young --- include/gauxc/load_balancer.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/include/gauxc/load_balancer.hpp b/include/gauxc/load_balancer.hpp index a8d75793..738464f2 100644 --- a/include/gauxc/load_balancer.hpp +++ b/include/gauxc/load_balancer.hpp @@ -26,7 +26,7 @@ namespace detail { /// State tracker for LoadBalancer instances struct LoadBalancerState { bool modified_weights_are_stored = false; - ///< Whether the load balancer currently stored partitioned weights + ///< Whether the load balancer currently stores partitioned weights };