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Fix assertion failure #4752

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Sep 29, 2023
Merged

Fix assertion failure #4752

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4 changes: 1 addition & 3 deletions src/QMCWaveFunctions/Fermion/DiracDeterminantBatched.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -657,16 +657,14 @@ void DiracDeterminantBatched<DET_ENGINE>::mw_evaluateGL(const RefVectorWithLeade
auto& det = wfc_list.getCastedElement<DiracDeterminantBatched<DET_ENGINE>>(iw);

#ifndef NDEBUG
// at this point, host and device should have exactly the same G and L values.
GradMatrix dpsiM_from_device = det.dpsiM;
Matrix<Value> d2psiM_from_device = det.d2psiM;

auto& my_psiM_vgl = det.psiM_vgl;
auto* psiM_vgl_ptr = my_psiM_vgl.data();
// transfer device to host, total size 4, g(3) + l(1)
PRAGMA_OFFLOAD("omp target update from(psiM_vgl_ptr[my_psiM_vgl.capacity():my_psiM_vgl.capacity()*4])")
Matrix<Value> psiM_temp_host(det.psiM_temp.data(), det.psiM_temp.rows(), det.psiM_temp.cols());
det.Phi->evaluate_notranspose(p_list[iw], FirstIndex, LastIndex, psiM_temp_host, det.dpsiM, det.d2psiM);

assert(dpsiM_from_device == det.dpsiM);
assert(d2psiM_from_device == det.d2psiM);
#endif
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