syclSolverInverter< T_FP > Class Template Reference

implements matrix inversion via cuSolverDN More...

Collaboration diagram for syclSolverInverter< T_FP >:

Public Member Functions
template<typename TMAT , typename TREAL , typename = std::enable_if_t<std::is_same<TMAT, T_FP>::value>>
std::enable_if_t< std::is_same< TMAT, T_FP >::value >	invert_transpose (const Matrix< TMAT > &logdetT, Matrix< TMAT > &Ainv, Matrix< TMAT, SYCLAllocator< TMAT >> &Ainv_gpu, std::complex< TREAL > &log_value, sycl::queue &m_queue)
	compute the inverse of the transpose of matrix A and its determinant value in log when T_FP and TMAT are the same More...
template<typename TMAT , typename TREAL , typename = std::enable_if_t<!std::is_same<TMAT, T_FP>::value>>
std::enable_if_t<!std::is_same< TMAT, T_FP >::value >	invert_transpose (const Matrix< TMAT > &logdetT, Matrix< TMAT > &Ainv, Matrix< TMAT, SYCLAllocator< TMAT >> &Ainv_gpu, std::complex< TREAL > &log_value, sycl::queue &m_queue)
	compute the inverse of the transpose of matrix A and its determinant value in log when T_FP and TMAT are not the same More...

Private Member Functions
void	resize (int norb, sycl::queue &m_queue)
	resize the internal storage More...

Private Attributes
Matrix< T_FP, SYCLAllocator< T_FP > >	Mat1_gpu
	scratch memory for cusolverDN More...
Vector< std::int64_t, SYCLAllocator< std::int64_t > >	ipiv
	pivot array + info More...
Vector< T_FP, SYCLAllocator< T_FP > >	workspace
	workspace More...
std::int64_t	getrf_ws = 0
std::int64_t	getri_ws = 0

Detailed Description

template<typename T_FP>
class qmcplusplus::syclSolverInverter< T_FP >

implements matrix inversion via cuSolverDN

Template Parameters

T_FP	high precision for matrix inversion, T_FP >= T

Definition at line 29 of file syclSolverInverter.hpp.

Member Function Documentation

invert_transpose() [1/2]

std::enable_if_t<std::is_same<TMAT, T_FP>::value> invert_transpose ( const Matrix< TMAT > &  logdetT, Matrix< TMAT > &  Ainv, Matrix< TMAT, SYCLAllocator< TMAT >> &  Ainv_gpu, std::complex< TREAL > &  log_value, sycl::queue &  m_queue  )

inline

compute the inverse of the transpose of matrix A and its determinant value in log when T_FP and TMAT are the same

Template Parameters

TREAL

real type

Definition at line 62 of file syclSolverInverter.hpp.

References Matrix< T, Alloc >::data(), qmcplusplus::cusolver::getrf(), syclSolverInverter< T_FP >::getrf_ws, qmcplusplus::rocsolver::getri(), syclSolverInverter< T_FP >::getri_ws, syclSolverInverter< T_FP >::ipiv, syclSolverInverter< T_FP >::Mat1_gpu, syclSolverInverter< T_FP >::resize(), Matrix< T, Alloc >::rows(), Matrix< T, Alloc >::size(), qmcplusplus::syclBLAS::transpose(), and syclSolverInverter< T_FP >::workspace.

Referenced by qmcplusplus::test_inverse().

  {
    const int norb = logdetT.rows();
    resize(norb, m_queue);

    m_queue.memcpy(Mat1_gpu.data(), logdetT.data(), logdetT.size() * sizeof(TMAT));
    syclBLAS::transpose(m_queue, Mat1_gpu.data(), norb, Mat1_gpu.cols(), Ainv_gpu.data(), norb,
                                       Ainv_gpu.cols());
    try
    {
      syclSolver::getrf(m_queue, norb, norb, Ainv_gpu.data(), norb, ipiv.data(), workspace.data(), getrf_ws)
          .wait();
    }
    catch (sycl::exception const& ex)
    {
      std::ostringstream err;
      err << "\t\tCaught synchronous SYCL exception during getrf:\n"
          << ex.what() << "  status: " << ex.code() << std::endl;
      std::cerr << err.str();
      throw std::runtime_error(err.str());
    }

    log_value = computeLogDet_sycl<TREAL>(m_queue, norb, Ainv_gpu.cols(), Ainv_gpu.data(), ipiv.data());

    syclSolver::getri(m_queue, norb, Ainv_gpu.data(), norb, ipiv.data(), workspace.data(), getri_ws);

    m_queue.memcpy(Ainv.data(), Ainv_gpu.data(), Ainv.size() * sizeof(TMAT)).wait();
  }

invert_transpose() [2/2]

std::enable_if_t<!std::is_same<TMAT, T_FP>::value> invert_transpose ( const Matrix< TMAT > &  logdetT, Matrix< TMAT > &  Ainv, Matrix< TMAT, SYCLAllocator< TMAT >> &  Ainv_gpu, std::complex< TREAL > &  log_value, sycl::queue &  m_queue  )

inline

compute the inverse of the transpose of matrix A and its determinant value in log when T_FP and TMAT are not the same

Template Parameters

TREAL

real type

Definition at line 100 of file syclSolverInverter.hpp.

References qmcplusplus::syclBLAS::copy_n(), Matrix< T, Alloc >::data(), qmcplusplus::cusolver::getrf(), syclSolverInverter< T_FP >::getrf_ws, qmcplusplus::rocsolver::getri(), syclSolverInverter< T_FP >::getri_ws, syclSolverInverter< T_FP >::ipiv, qmcplusplus::isnan(), syclSolverInverter< T_FP >::Mat1_gpu, norm(), syclSolverInverter< T_FP >::resize(), Matrix< T, Alloc >::rows(), Matrix< T, Alloc >::size(), qmcplusplus::syclBLAS::transpose(), and syclSolverInverter< T_FP >::workspace.

  {
    const int norb = logdetT.rows();
    resize(norb, m_queue);
    //use Ainv_gpu for transpose
    m_queue.memcpy(Ainv_gpu.data(), logdetT.data(), logdetT.size() * sizeof(TMAT));
    //transpose
    syclBLAS::transpose(m_queue, Ainv_gpu.data(), norb, Ainv_gpu.cols(), Mat1_gpu.data(), norb,
                                       Mat1_gpu.cols());

    //getrf (LU) -> getri (inverse)
    try
    {
      syclSolver::getrf(m_queue, norb, norb, Mat1_gpu.data(), norb, ipiv.data(), workspace.data(), getrf_ws)
          .wait();
    }
    catch (sycl::exception const& ex)
    {
      std::ostringstream err;
      err << "\t\tCaught synchronous SYCL exception during getrf:\n"
          << ex.what() << "  status: " << ex.code() << std::endl;
      std::cerr << err.str();
      throw std::runtime_error(err.str());
    }

    log_value = computeLogDet_sycl<TREAL>(m_queue, norb, Mat1_gpu.cols(), Mat1_gpu.data(), ipiv.data());

    syclSolver::getri(m_queue, norb, Mat1_gpu.data(), norb, ipiv.data(), workspace.data(), getri_ws);

    syclBLAS::copy_n(m_queue, Mat1_gpu.data(), Mat1_gpu.size(), Ainv_gpu.data());

    m_queue.memcpy(Ainv.data(), Ainv_gpu.data(), Ainv.size() * sizeof(TMAT)).wait();

    for(int i = 0; i < norb; i++)
      if (qmcplusplus::isnan(std::norm(Ainv[i][i])))
        throw std::runtime_error("Ainv[i][i] is NaN. i = " + std::to_string(i));
  }

resize()

void resize ( int  norb, sycl::queue &  m_queue  )

inlineprivate

resize the internal storage

Parameters

norb	number of electrons/orbitals
delay,maximum	delay 0<delay<=norb

Definition at line 44 of file syclSolverInverter.hpp.

References syclSolverInverter< T_FP >::getrf_ws, syclSolverInverter< T_FP >::getri_ws, syclSolverInverter< T_FP >::ipiv, syclSolverInverter< T_FP >::Mat1_gpu, and syclSolverInverter< T_FP >::workspace.

Referenced by syclSolverInverter< T_FP >::invert_transpose().

  {
    if (Mat1_gpu.rows() != norb)
    {
      Mat1_gpu.resize(norb, norb);
      ipiv.resize(norb);
      getrf_ws = syclSolver::getrf_scratchpad_size<T_FP>(m_queue, norb, norb, norb);
      getri_ws = syclSolver::getri_scratchpad_size<T_FP>(m_queue, norb, norb);
      workspace.resize(std::max(getrf_ws, getri_ws));
    }
  }

Member Data Documentation

getrf_ws

std::int64_t getrf_ws = 0

private

Definition at line 37 of file syclSolverInverter.hpp.

Referenced by syclSolverInverter< T_FP >::invert_transpose(), and syclSolverInverter< T_FP >::resize().

getri_ws

std::int64_t getri_ws = 0

private

Definition at line 38 of file syclSolverInverter.hpp.

Referenced by syclSolverInverter< T_FP >::invert_transpose(), and syclSolverInverter< T_FP >::resize().

ipiv

Vector<std::int64_t, SYCLAllocator<std::int64_t> > ipiv

private

pivot array + info

Definition at line 34 of file syclSolverInverter.hpp.

Referenced by syclSolverInverter< T_FP >::invert_transpose(), and syclSolverInverter< T_FP >::resize().

Mat1_gpu

Matrix<T_FP, SYCLAllocator<T_FP> > Mat1_gpu

private

scratch memory for cusolverDN

Definition at line 32 of file syclSolverInverter.hpp.

Referenced by syclSolverInverter< T_FP >::invert_transpose(), and syclSolverInverter< T_FP >::resize().

workspace

Vector<T_FP, SYCLAllocator<T_FP> > workspace

private

workspace

Definition at line 36 of file syclSolverInverter.hpp.

Referenced by syclSolverInverter< T_FP >::invert_transpose(), and syclSolverInverter< T_FP >::resize().

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The documentation for this class was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/Fermion/syclSolverInverter.hpp