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Fix CUDA error related to 097_PW_PBE0_AFM and 097_PW_PBE0_FM in 01_PW #7926

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Merged
mohanchen merged 2 commits into from
Sep 8, 2026
Merged

Fix CUDA error related to 097_PW_PBE0_AFM and 097_PW_PBE0_FM in 01_PW #7926

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d41f969
fix 097 related bug
Sep 7, 2026
c7a2727
update CASES_GPU.txt
Sep 7, 2026
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4 changes: 2 additions & 2 deletions source/source_pw/module_pwdft/op_pw_exx_pot.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,7 @@ void get_exx_potential(const K_Vectors* kv,
const CoulombParam& coulomb_param_in)
{
using setmem_real_cpu_op = base_device::memory::set_memory_op<Real, base_device::DEVICE_CPU>;
using syncmem_real_c2d_op = base_device::memory::synchronize_memory_op<Real, base_device::DEVICE_CPU, Device>;
using syncmem_real_c2d_op = base_device::memory::synchronize_memory_op<Real, Device, base_device::DEVICE_CPU>;
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Real nqs_half1 = 0.5 * kv->nmp[0];
Real nqs_half2 = 0.5 * kv->nmp[1];
Expand Down Expand Up @@ -238,7 +238,7 @@ void get_exx_stress_potential(const K_Vectors* kv,
const CoulombParam& coulomb_param_in)
{
using setmem_real_cpu_op = base_device::memory::set_memory_op<Real, base_device::DEVICE_CPU>;
using syncmem_real_c2d_op = base_device::memory::synchronize_memory_op<Real, base_device::DEVICE_CPU, Device>;
using syncmem_real_c2d_op = base_device::memory::synchronize_memory_op<Real, Device, base_device::DEVICE_CPU>;

Real nqs_half1 = 0.5 * kv->nmp[0];
Real nqs_half2 = 0.5 * kv->nmp[1];
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4 changes: 2 additions & 2 deletions tests/01_PW/CASES_GPU.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -97,8 +97,8 @@ scf_out_elf
095_PW_NPT
#096_PW_NVT
#097_PW_PBE0
#097_PW_PBE0_AFM
#097_PW_PBE0_FM
097_PW_PBE0_AFM
097_PW_PBE0_FM
099_PW_15_SO_avg
#100_PW_DJ_SO
#101_PW_W90
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