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Commit 9ecd185

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dyzheng
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Fix: force error of DFTU in GPU/DCU version
1 parent ba051ff commit 9ecd185

2 files changed

Lines changed: 6 additions & 6 deletions

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source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -405,7 +405,7 @@ __global__ void cal_force_onsite(int wg_nc,
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int nkb,
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const int* atom_nh,
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const int* atom_na,
408-
int tpiba,
408+
const FPTYPE tpiba,
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const FPTYPE* d_wg,
410410
const thrust::complex<FPTYPE>* vu,
411411
const int* orbital_corr,
@@ -477,7 +477,7 @@ __global__ void cal_force_onsite_np1(int wg_nc,
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int nkb,
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const int* atom_nh,
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const int* atom_na,
480-
int tpiba,
480+
const FPTYPE tpiba,
481481
const FPTYPE* d_wg,
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const thrust::complex<FPTYPE>* vu,
483483
const int* orbital_corr,
@@ -543,7 +543,7 @@ __global__ void cal_force_onsite(int wg_nc,
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int nkb,
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const int* atom_nh,
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const int* atom_na,
546-
int tpiba,
546+
const FPTYPE tpiba,
547547
const FPTYPE* d_wg,
548548
const FPTYPE* lambda,
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const thrust::complex<FPTYPE>* becp,
@@ -603,7 +603,7 @@ __global__ void cal_force_onsite_np1(int wg_nc,
603603
int nkb,
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const int* atom_nh,
605605
const int* atom_na,
606-
int tpiba,
606+
const FPTYPE tpiba,
607607
const FPTYPE* d_wg,
608608
const FPTYPE* lambda,
609609
const thrust::complex<FPTYPE>* becp,

source/module_hamilt_pw/hamilt_pwdft/kernels/rocm/force_op.hip.cu

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -421,7 +421,7 @@ __global__ void cal_force_onsite(int wg_nc,
421421
int nkb,
422422
const int* atom_nh,
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const int* atom_na,
424-
int tpiba,
424+
const FPTYPE tpiba,
425425
const FPTYPE* d_wg,
426426
const thrust::complex<FPTYPE>* vu,
427427
const int* orbital_corr,
@@ -488,7 +488,7 @@ __global__ void cal_force_onsite(int wg_nc,
488488
int nkb,
489489
const int* atom_nh,
490490
const int* atom_na,
491-
int tpiba,
491+
const FPTYPE tpiba,
492492
const FPTYPE* d_wg,
493493
const FPTYPE* lambda,
494494
const thrust::complex<FPTYPE>* becp,

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