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HIP Fixes #54

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HIP: implement missing Fxc/vxc_fxc device stubs and complete builtin …
ajaypanyala Aug 26, 2026
31ab417
remove some comments
ajaypanyala Aug 26, 2026
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206 changes: 202 additions & 4 deletions src/hip/builtin.hip
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Original file line number Diff line number Diff line change
Expand Up @@ -53,6 +53,7 @@
#include <exchcxx/impl/builtin/util.hpp>
#include <exchcxx/impl/builtin/kernels.hpp>
#include <exchcxx/util/div_ceil.hpp>
#include <stdexcept>

namespace ExchCXX {
namespace detail {
Expand Down Expand Up @@ -884,6 +885,105 @@ MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar ) {

}

template <typename KernelType>
LDA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
LDA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar ) {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}

template <typename KernelType>
GGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
GGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar ) {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}

template <typename KernelType>
MGGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
template <typename KernelType>
MGGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar ) {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}

#define LDA_GENERATE_DEVICE_HELPERS(KERN) \
template LDA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_unpolar<KERN> ); \
template LDA_EXC_VXC_GENERATOR_DEVICE( device_eval_exc_vxc_helper_unpolar<KERN> ); \
Expand All @@ -892,7 +992,15 @@ MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar ) {
template LDA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_polar<KERN> ); \
template LDA_EXC_VXC_GENERATOR_DEVICE( device_eval_exc_vxc_helper_polar<KERN> ); \
template LDA_EXC_INC_GENERATOR_DEVICE( device_eval_exc_inc_helper_polar<KERN> ); \
template LDA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> );
template LDA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> ); \
template LDA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar<KERN> ); \
template LDA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar<KERN> ); \
template LDA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar<KERN> ); \
template LDA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar<KERN> ); \
template LDA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar<KERN> ); \
template LDA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar<KERN> ); \
template LDA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar<KERN> ); \
template LDA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar<KERN> );

#define GGA_GENERATE_DEVICE_HELPERS(KERN) \
template GGA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_unpolar<KERN> ); \
Expand All @@ -902,7 +1010,15 @@ MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar ) {
template GGA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_polar<KERN> ); \
template GGA_EXC_VXC_GENERATOR_DEVICE( device_eval_exc_vxc_helper_polar<KERN> ); \
template GGA_EXC_INC_GENERATOR_DEVICE( device_eval_exc_inc_helper_polar<KERN> ); \
template GGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> );
template GGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> ); \
template GGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar<KERN> ); \
template GGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar<KERN> ); \
template GGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar<KERN> ); \
template GGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar<KERN> ); \
template GGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar<KERN> ); \
template GGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar<KERN> ); \
template GGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar<KERN> ); \
template GGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar<KERN> );

#define MGGA_GENERATE_DEVICE_HELPERS(KERN) \
template MGGA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_unpolar<KERN> ); \
Expand All @@ -912,11 +1028,20 @@ MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar ) {
template MGGA_EXC_GENERATOR_DEVICE( device_eval_exc_helper_polar<KERN> ); \
template MGGA_EXC_VXC_GENERATOR_DEVICE( device_eval_exc_vxc_helper_polar<KERN> ); \
template MGGA_EXC_INC_GENERATOR_DEVICE( device_eval_exc_inc_helper_polar<KERN> ); \
template MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> );
template MGGA_EXC_VXC_INC_GENERATOR_DEVICE( device_eval_exc_vxc_inc_helper_polar<KERN> ); \
template MGGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_unpolar<KERN> ); \
template MGGA_FXC_GENERATOR_DEVICE( device_eval_fxc_helper_polar<KERN> ); \
template MGGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_unpolar<KERN> ); \
template MGGA_VXC_FXC_GENERATOR_DEVICE( device_eval_vxc_fxc_helper_polar<KERN> ); \
template MGGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_unpolar<KERN> ); \
template MGGA_FXC_INC_GENERATOR_DEVICE( device_eval_fxc_inc_helper_polar<KERN> ); \
template MGGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_unpolar<KERN> ); \
template MGGA_VXC_FXC_INC_GENERATOR_DEVICE( device_eval_vxc_fxc_inc_helper_polar<KERN> );

LDA_GENERATE_DEVICE_HELPERS( BuiltinSlaterExchange );
LDA_GENERATE_DEVICE_HELPERS( BuiltinVWN3 );
LDA_GENERATE_DEVICE_HELPERS( BuiltinVWN_RPA );
LDA_GENERATE_DEVICE_HELPERS( BuiltinVWN );
LDA_GENERATE_DEVICE_HELPERS( BuiltinPW91_LDA );
LDA_GENERATE_DEVICE_HELPERS( BuiltinPW91_LDA_MOD );
LDA_GENERATE_DEVICE_HELPERS( BuiltinPW91_LDA_RPA );
Expand All @@ -928,14 +1053,86 @@ GGA_GENERATE_DEVICE_HELPERS( BuiltinLYP );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinRevPBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPBE_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinB97_D );
GGA_GENERATE_DEVICE_HELPERS( BuiltinITYH_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinITYH_X_033 );
GGA_GENERATE_DEVICE_HELPERS( BuiltinITYH_X_015 );
GGA_GENERATE_DEVICE_HELPERS( BuiltinP86_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinP86VWN_FT_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPW91_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPBE_SOL_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinBMK_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinN12_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinN12_SX_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinSOGGA11_X_C );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPW91_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinMPW91_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinOPTX_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinRPBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinSOGGA11_X_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinPW86_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWB97_XC );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWB97X_XC );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWB97X_V_XC );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWB97X_D_XC );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWB97X_D3_XC );
GGA_GENERATE_DEVICE_HELPERS( BuiltinHJS_PBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinLCwPBE_wPBEh_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinLRCwPBE_HJS_PBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinLRCwPBEh_HJS_PBE_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinWPBEh_X_default0 );
GGA_GENERATE_DEVICE_HELPERS( BuiltinHSE03_wPBEh_X );
GGA_GENERATE_DEVICE_HELPERS( BuiltinHSE06_wPBEh_X );


MGGA_GENERATE_DEVICE_HELPERS( BuiltinSCAN_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinSCAN_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinR2SCAN_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinR2SCAN_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinFT98_X );

MGGA_GENERATE_DEVICE_HELPERS( BuiltinM062X_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM062X_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinPKZB_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinPKZB_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinTPSS_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRevTPSS_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_L_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_HF_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRevM06_L_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_SX_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_L_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_HF_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRevM06_L_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM06_SX_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM05_2X_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM05_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM08_HX_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM08_SO_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinCF22D_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM11_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN12_L_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN12_SX_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN15_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN15_L_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinTPSS_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRevTPSS_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRSCAN_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinBC95_C );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMBEEF_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinRSCAN_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinBMK_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM08_HX_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM08_SO_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN12_L_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN15_L_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN15_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinCF22D_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinMN12_SX_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM11_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM05_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinM05_2X_X );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinPC07_K );
MGGA_GENERATE_DEVICE_HELPERS( BuiltinPC07OPT_K );

Expand All @@ -949,6 +1146,7 @@ LDA_GENERATE_DEVICE_HELPERS( BuiltinEPC17_2 )
LDA_GENERATE_DEVICE_HELPERS( BuiltinEPC18_1 )
LDA_GENERATE_DEVICE_HELPERS( BuiltinEPC18_2 )


}
}

33 changes: 31 additions & 2 deletions src/hip/libxc_device.hip
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -306,10 +306,39 @@ UNUSED_DEVICE_INC_INTERFACE_GENERATOR( GGA, EXC,
LibxcKernelImpl::eval_exc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( GGA, EXC_VXC,
LibxcKernelImpl::eval_exc_vxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, EXC,
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, EXC,
LibxcKernelImpl::eval_exc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, EXC_VXC,
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, EXC_VXC,
LibxcKernelImpl::eval_exc_vxc_inc_device_, const )

// ExchCXX's HIP backend does not implement Fxc/vxc_fxc device evaluation
// for Libxc-backed kernels (unlike CUDA and SYCL); disable rather than
// leave the LibxcKernelImpl vtable unresolved at link time.
UNUSED_DEVICE_INTERFACE_GENERATOR( LDA, FXC,
LibxcKernelImpl::eval_fxc_device_, const )
UNUSED_DEVICE_INTERFACE_GENERATOR( LDA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_device_, const )
UNUSED_DEVICE_INTERFACE_GENERATOR( GGA, FXC,
LibxcKernelImpl::eval_fxc_device_, const )
UNUSED_DEVICE_INTERFACE_GENERATOR( GGA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_device_, const )
UNUSED_DEVICE_INTERFACE_GENERATOR( MGGA, FXC,
LibxcKernelImpl::eval_fxc_device_, const )
UNUSED_DEVICE_INTERFACE_GENERATOR( MGGA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_device_, const )

UNUSED_DEVICE_INC_INTERFACE_GENERATOR( LDA, FXC,
LibxcKernelImpl::eval_fxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( GGA, FXC,
LibxcKernelImpl::eval_fxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, FXC,
LibxcKernelImpl::eval_fxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( LDA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( GGA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_inc_device_, const )
UNUSED_DEVICE_INC_INTERFACE_GENERATOR( MGGA, VXC_FXC,
LibxcKernelImpl::eval_vxc_fxc_inc_device_, const )

}
}
26 changes: 26 additions & 0 deletions src/hip/xc_functional_device.hip
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,7 @@
#include <exchcxx/xc_functional.hpp>
#include <exchcxx/util/div_ceil.hpp>
#include <string>
#include <stdexcept>


__global__ void scal_kernel( const int N, const double fact, const double* X_device, double* Y_device ) {
Expand Down Expand Up @@ -488,4 +489,29 @@ MGGA_EXC_VXC_GENERATOR_DEVICE( XCFunctional::eval_exc_vxc_device ) const {
if( vtau_scr ) hipFree( vtau_scr );
}

// ExchCXX's HIP backend does not implement Fxc/vxc_fxc device evaluation
// (unlike CUDA and SYCL); XCFunctional::eval_fxc_device/eval_vxc_fxc_device
// forward to each constituent kernel's eval_fxc_device/eval_vxc_fxc_device,
// which are themselves stubbed (see hip/builtin.hip, hip/libxc_device.hip),
// so stub these aggregators the same way rather than leave them unresolved
// at link time.
LDA_FXC_GENERATOR_DEVICE( XCFunctional::eval_fxc_device ) const {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
LDA_VXC_FXC_GENERATOR_DEVICE( XCFunctional::eval_vxc_fxc_device ) const {
throw std::runtime_error("LDA Fxc device evaluation NYI for HIP backend");
}
GGA_FXC_GENERATOR_DEVICE( XCFunctional::eval_fxc_device ) const {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
GGA_VXC_FXC_GENERATOR_DEVICE( XCFunctional::eval_vxc_fxc_device ) const {
throw std::runtime_error("GGA Fxc device evaluation NYI for HIP backend");
}
MGGA_FXC_GENERATOR_DEVICE( XCFunctional::eval_fxc_device ) const {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}
MGGA_VXC_FXC_GENERATOR_DEVICE( XCFunctional::eval_vxc_fxc_device ) const {
throw std::runtime_error("MGGA Fxc device evaluation NYI for HIP backend");
}

}