Commit 867d8356 authored by Doak, Peter W.'s avatar Doak, Peter W.
Browse files

look to have fixed rashba G

parent bc08d526

include/dca/io/hdf5/hdf5_writer.hpp

+0 −1
Original line number Diff line number Diff line
@@ -297,7 +297,6 @@ bool HDF5Writer::execute(const std::string& name, 
  std::vector<hsize_t> dims{hsize_t(A.nrRows()), hsize_t(A.nrCols())};

  std::vector<Scalar> linearized(A.nrRows() * A.nrCols());



  int linindex = 0;

  // Note: Matrices are row major, while HDF5 is column major

  for (int i = 0; i < A.nrRows(); ++i)

    for (int j = 0; j < A.nrCols(); ++j)

src/phys/dca_step/cluster_solver/shared_tools/accumulation/tp/tp_accumulator_kernels.cu

+2 −2
Original line number Diff line number Diff line
@@ -181,10 +181,10 @@ __global__ void computeGMultibandKernel(CudaComplex<Real>* __restrict__ G, int l 
  }



  if (k1 == k2 && w1 == w2)  // G0_w1 == G0_w2)

    G_val_store += G0_w1[b1 + ldg0 * b2] * beta;

    G_val_store += G0_w1[b2 + ldg0 * b1] * beta;

#ifdef DEBUG_G4_GPU

  printf("%lf %lf %lf %lf %lf %lf -- %d %d %d %d %d %d %f,%f\n", M[b1 + ldm * b2].x,

         M[b1 + ldm * b2].y, G0_w1[b1 + ldg0 * b2].x, G0_w1[b1 + ldg0 * b2].y,

         M[b1 + ldm * b2].y, G0_w1[b2 + ldg0 * b1].x, G0_w1[b2 + ldg0 * b1].y,

         G0_w2[b1 + ldg0 * b2].x, G0_w2[b1 + ldg0 * b2].y, b1, b2, k1, k2, w1, w2, G_val.x, G_val.y);

#endif

  G_val = G_val_store;

test/unit/phys/dca_step/cluster_solver/shared_tools/accumulation/tp/input_1x1_rashba.json

+17 −3
Original line number Diff line number Diff line
@@ -9,7 +9,9 @@ 
  "physics" :

  {

      "beta"                      :  2,

    "chemical-potential"        : 0

      "density"                 : 0.85,

      "chemical-potential"        : 0,

      "adjust-chemical-potential": true

  },



  "Rashba-Hubbard-model":
@@ -19,7 +21,19 @@ 
      "lambda"  : 0.5,

      "U"       : 6.0

  },



    "DCA" : {

		"iterations": 1,

	"accuracy": 1.e-3,

	"self-energy-mixing-factor": 0.8,

	"interacting-orbitals": [0,1],

	"coarse-graining": {

	    "k-mesh-recursion": 3,

	    "periods": 0,

	    "quadrature-rule": 1,

	    "threads": 1,

	    "tail-frequencies": 10

	}

    },

  "domains": {

    "real-space-grids": {

      "cluster": [[2, 2],

test/unit/phys/dca_step/cluster_solver/shared_tools/accumulation/tp/input_222-2_rashba.json

+19 −17
Original line number Diff line number Diff line
@@ -32,6 +32,7 @@ 
	    "quadrature-rule": 1,

	    "threads": 1,

	    "tail-frequencies": 10

	}

    },

  "domains": {

    "real-space-grids": {
@@ -47,13 +48,14 @@ 


    "imaginary-frequency": {

      "sp-fermionic-frequencies": 512,

      "four-point-fermionic-frequencies" : 1

	"four-point-fermionic-frequencies" : 5

    }

  },



  "four-point": {

    "type": "NONE",

    "frequency-transfer": 0

    "type": "PARTICLE_PARTICLE_UP_DOWN",

      "frequency-transfer": 2,

      "compute-all-transfers": true

  },
@@ -73,7 +75,7 @@ 
  },

  "CT-AUX" :

  {

    "initial-configuration-size" :5,

    "max-submatrix-size":4

      "initial-configuration-size" :100,

    "max-submatrix-size":1

  }

}

test/unit/phys/dca_step/cluster_solver/shared_tools/accumulation/tp/tp_accumulator_complex_g0_gpu_test.cpp

+38 −5
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2023 ETH Zurich

// Copyright (C) 2023 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE.txt for terms of usage.

// See CITATION.txt for citation guidelines if you use this code for scientific publications.

//

// Author: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

//         Peter W. Doak     (doakpw@ornl.gov)

//

// This file implements a no-change test for the two particles accumulation on the GPU with

// the Rashba model.
@@ -25,7 +26,9 @@ using McOptions = MockMcOptions<Scalar>; 
}  // namespace config

}  // namespace dca



#include "dca/phys/dca_step/lattice_mapping/lattice_mapping_sp.hpp"

#include "dca/phys/dca_step/cluster_solver/shared_tools/accumulation/tp/tp_accumulator_gpu.hpp"

#include "dca/function/domains.hpp"



#include <array>

#include <functional>
@@ -81,6 +84,19 @@ uint loop_counter = 0; 
using TestTypes = ::testing::Types<std::complex<double>>;

TYPED_TEST_CASE(TpAccumulatorComplexG0GpuTest, TestTypes);



using namespace dca::phys;



template <class Parameters>

using k_DCA =

  dca::func::dmn_0<domains::cluster_domain<double, Parameters::lattice_type::DIMENSION, domains::CLUSTER,

                                        domains::MOMENTUM_SPACE, domains::BRILLOUIN_ZONE>>;

template <class Parameters>

using k_HOST =

  dca::func::dmn_0<domains::cluster_domain<double, Parameters::lattice_type::DIMENSION, domains::LATTICE_SP,

                                        domains::MOMENTUM_SPACE, domains::BRILLOUIN_ZONE>>;

template <class Parameters, class k_DCA, class k_HOST>

using LatticeMapSpType = latticemapping::lattice_mapping_sp<Parameters, k_DCA, k_HOST>;



#define TYPING_PREFACE                                            \

  using Scalar = TypeParam;                                       \

  using ConfigGenerator = dca::testing::AccumulationTest<Scalar>; \
@@ -90,7 +106,7 @@ TYPED_TEST_CASE(TpAccumulatorComplexG0GpuTest, TestTypes); 
TYPED_TEST(TpAccumulatorComplexG0GpuTest, Accumulate) {

  TYPING_PREFACE



  const std::array<int, 2> n{18, 22};

  const std::array<int, 2> n{23, 23};

  Sample M;

  Configuration config;

  using FourPointType = dca::phys::FourPointType;
@@ -105,6 +121,24 @@ TYPED_TEST(TpAccumulatorComplexG0GpuTest, Accumulate) { 
  this->host_setup.parameters_.set_four_point_channels(four_point_channels);

  this->gpu_setup.parameters_.set_four_point_channels(four_point_channels);



  //this->host_setup.data_->initializeSigma("zero");

  //this->gpu_setup.data_->initializeSigma("zero"); //this->gpu_setup.parameters_.get_initial_self_energy());



  using ParametersHost = typename decltype(this->host_setup)::Parameters;

  using ParametersGPU = typename decltype(this->gpu_setup)::Parameters;

  

  // LatticeMapSpType<ParametersHost,

  // 		   k_DCA<ParametersHost>,

  // 		   k_HOST<ParametersHost>> lattice_mapping_obj_host(this->host_setup.parameters_);

  // auto& host_data = this->host_setup.data_;

  // lattice_mapping_obj_host.execute(host_data->Sigma, host_data->Sigma_lattice_interpolated,

  //                                  host_data->Sigma_lattice_coarsegrained, host_data->Sigma_lattice);



  // LatticeMapSpType<ParametersGPU, k_DCA<ParametersGPU>, k_HOST<ParametersGPU>> lattice_mapping_obj_gpu(this->gpu_setup.parameters_);

  // auto& gpu_data = this->gpu_setup.data_;

  // lattice_mapping_obj_gpu.execute(gpu_data->Sigma, gpu_data->Sigma_lattice_interpolated,

  //                                 gpu_data->Sigma_lattice_coarsegrained, gpu_data->Sigma_lattice);



  dca::phys::solver::accumulator::TpAccumulator<decltype(this->host_setup.parameters_),

                                                dca::DistType::NONE, dca::linalg::CPU>

      accumulatorHost(this->host_setup.data_->G0_k_w_cluster_excluded, this->host_setup.parameters_);
@@ -220,7 +254,6 @@ TYPED_TEST(TpAccumulatorComplexG0GpuTest, Accumulate) { 
      else {

        std::vector<int> success_index(host_G4.get_domain().get_leaf_domain_sizes().size());

        host_G4.linind_2_subind(i, success_index);

        std::cout << "success-> " << dca::vectorToString(success_index) << '\n';

      }

    }

    if (fail_count > 0)