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Fix the errors related to the "atomicAdd" function when building with libtorch-gpu. #6551

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Merged
merged 5 commits into from
Oct 1, 2025
Merged

Fix the errors related to the "atomicAdd" function when building with libtorch-gpu. #6551

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871653c
Update exx_cal_energy_op.cu
ZhouXY-PKU Sep 30, 2025
10fd7ad
Update phi_operator_kernel.cu
ZhouXY-PKU Sep 30, 2025
a5cc85b
Update gemm_tn_vbatch.cuh
ZhouXY-PKU Sep 30, 2025
204f279
Update gemm_nn_vbatch.cuh
ZhouXY-PKU Sep 30, 2025
81ccb8e
Update dgemm_vbatch.cu
ZhouXY-PKU Sep 30, 2025
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1 change: 1 addition & 0 deletions source/source_lcao/module_gint/temp_gint/kernel/dgemm_vbatch.cu
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@@ -1,6 +1,7 @@
#include "gemm_tn_vbatch.cuh"
#include "gemm_nn_vbatch.cuh"
#include "dgemm_vbatch.h"
#include "source_base/module_device/device.h"

void dgemm_nn_vbatch(
int max_m, int max_n, int max_k,
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4 changes: 2 additions & 2 deletions source/source_lcao/module_gint/temp_gint/kernel/gemm_nn_vbatch.cuh
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Expand Up @@ -8,7 +8,7 @@

#include "gint_helper.cuh"
#include <functional>

#include "source_base/module_device/device.h"

#define sA(i, j) sA[(j)*slda + (i)]
#define sB(i, j) sB[(j)*sldb + (i)]
Expand Down Expand Up @@ -424,4 +424,4 @@ void vbatched_gemm_nn_impl(int max_m,
}
}

#endif // GEMM_VBATCH_CUH
#endif // GEMM_VBATCH_CUH
4 changes: 2 additions & 2 deletions source/source_lcao/module_gint/temp_gint/kernel/gemm_tn_vbatch.cuh
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Expand Up @@ -8,7 +8,7 @@

#include "gint_helper.cuh"
#include <functional>

#include "source_base/module_device/device.h"

#define sA(i, j) sA[(j)*slda + (i)]
#define sB(i, j) sB[(j)*sldb + (i)]
Expand Down Expand Up @@ -449,4 +449,4 @@ void vbatched_gemm_tn_impl(int max_m,
}
}

#endif // GEMM_TN_VBATCH_CUH
#endif // GEMM_TN_VBATCH_CUH
3 changes: 2 additions & 1 deletion source/source_lcao/module_gint/temp_gint/kernel/phi_operator_kernel.cu
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@@ -1,6 +1,7 @@
#include "phi_operator_kernel.cuh"
#include "gint_helper.cuh"
#include "sph.cuh"
#include "source_base/module_device/device.h"

namespace ModuleGint
{
Expand Down Expand Up @@ -577,4 +578,4 @@ __global__ void phi_dot_dphi_r_kernel(
}
}

}
}
3 changes: 2 additions & 1 deletion source/source_pw/module_pwdft/kernels/cuda/exx_cal_energy_op.cu
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Expand Up @@ -2,6 +2,7 @@
#include "source_psi/psi.h"

#include <thrust/complex.h>
#include "source_base/module_device/device.h"

namespace hamilt
{
Expand Down Expand Up @@ -81,4 +82,4 @@ struct exx_cal_energy_op<std::complex<FPTYPE>, base_device::DEVICE_GPU>

template struct exx_cal_energy_op<std::complex<float>, base_device::DEVICE_GPU>;
template struct exx_cal_energy_op<std::complex<double>, base_device::DEVICE_GPU>;
} // namespace hamilt
} // namespace hamilt
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